CID 131753013

1,7-pentatriacontadien-11-ol

Structural Information

Molecular Formula
C35H68O
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCC(CC/C=C/CCCCC=C)O
InChI
InChI=1S/C35H68O/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-30-32-34-35(36)33-31-29-27-12-10-8-6-4-2/h4,27,29,35-36H,2-3,5-26,28,30-34H2,1H3/b29-27+
InChIKey
MUCYVLDLUUTKSG-ORIPQNMZSA-N
Compound name
(7E)-pentatriaconta-1,7-dien-11-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

504.527 Da
Monoisotopic Mass

16.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 505.53428 245.4
[M+Na]+ 527.51622 251.0
[M-H]- 503.51972 225.7
[M+NH4]+ 522.56082 241.0
[M+K]+ 543.49016 251.5
[M+H-H2O]+ 487.52426 238.3
[M+HCOO]- 549.52520 251.8
[M+CH3COO]- 563.54085 250.9
[M+Na-2H]- 525.50167 237.8
[M]+ 504.52645 244.9
[M]- 504.52755 244.9
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

No patent data available for this compound.