CID 11954010

34625-86-0

Structural Information

Molecular Formula
C30H44O2
SMILES
CC(C)CCCC(C)CCCC(C)CCC/C(=C/CC1=CC(=O)C2=CC=CC=C2C1=O)/C
InChI
InChI=1S/C30H44O2/c1-22(2)11-8-12-23(3)13-9-14-24(4)15-10-16-25(5)19-20-26-21-29(31)27-17-6-7-18-28(27)30(26)32/h6-7,17-19,21-24H,8-16,20H2,1-5H3/b25-19+
InChIKey
UDYIPZFWVJJQJF-NCELDCMTSA-N
Compound name
2-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

4
Patents

436.33414 Da
Monoisotopic Mass

10.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.34142 217.4
[M+Na]+ 459.32336 218.5
[M-H]- 435.32686 219.0
[M+NH4]+ 454.36796 227.9
[M+K]+ 475.29730 212.4
[M+H-H2O]+ 419.33140 208.9
[M+HCOO]- 481.33234 230.0
[M+CH3COO]- 495.34799 239.5
[M+Na-2H]- 457.30881 209.7
[M]+ 436.33359 221.2
[M]- 436.33469 221.2
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

No patent data available for this compound.