CID 42608282

Tetrahydrosqualene

Structural Information

Molecular Formula
C30H54
SMILES
CC(CCC/C(=C/CC/C(=C/CC/C=C(/CC/C=C(/CCCC(C)C)\C)\C)/C)/C)C
InChI
InChI=1S/C30H54/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h17-18,23-26H,9-16,19-22H2,1-8H3/b27-17+,28-18+,29-23+,30-24+
InChIKey
COCRTLOZHDPILP-AAJYLUCBSA-N
Compound name
(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-6,10,14,18-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

414.42255 Da
Monoisotopic Mass

12.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.42983 221.7
[M+Na]+ 437.41177 219.5
[M-H]- 413.41527 218.4
[M+NH4]+ 432.45637 224.2
[M+K]+ 453.38571 213.4
[M+H-H2O]+ 397.41981 214.5
[M+HCOO]- 459.42075 218.4
[M+CH3COO]- 473.43640 237.5
[M+Na-2H]- 435.39722 209.0
[M]+ 414.42200 225.2
[M]- 414.42310 225.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe