CID 71533522

Schembl2838030

Structural Information

Molecular Formula
C30H38O2
SMILES
CC(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C(=O)O)/C)/C)C
InChI
InChI=1S/C30H38O2/c1-24(2)14-10-17-27(5)20-11-18-25(3)15-8-9-16-26(4)19-12-21-28(6)22-13-23-29(7)30(31)32/h8-23H,1-7H3,(H,31,32)/b9-8+,17-10+,18-11+,19-12+,22-13+,25-15+,26-16+,27-20+,28-21+,29-23+
InChIKey
FUIUCBAOBOEADA-ZPZIOZIESA-N
Compound name
(2E,4E,6E,8E,10E,12E,14E,16E,18E,20E)-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,20,22-undecaenoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

42
Patents

430.28717 Da
Monoisotopic Mass

10.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.29445 205.6
[M+Na]+ 453.27639 220.7
[M-H]- 429.27989 206.0
[M+NH4]+ 448.32099 215.6
[M+K]+ 469.25033 217.9
[M+H-H2O]+ 413.28443 206.5
[M+HCOO]- 475.28537 208.9
[M+CH3COO]- 489.30102 228.6
[M+Na-2H]- 451.26184 199.0
[M]+ 430.28662 204.1
[M]- 430.28772 204.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe