CID 6430695

7-hentriacontene

Structural Information

Molecular Formula
C31H62
SMILES
CCCCCCCCCCCCCCCCCCCCCCC/C=C/CCCCCC
InChI
InChI=1S/C31H62/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15H,3-12,14,16-31H2,1-2H3/b15-13+
InChIKey
FLBGBXJBPLNKOK-FYWRMAATSA-N
Compound name
(E)-hentriacont-7-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.48514 Da
Monoisotopic Mass

16.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.49242 228.4
[M+Na]+ 457.47436 225.7
[M-H]- 433.47786 223.9
[M+NH4]+ 452.51896 229.3
[M+K]+ 473.44830 218.2
[M+H-H2O]+ 417.48240 219.5
[M+HCOO]- 479.48334 244.9
[M+CH3COO]- 493.49899 240.5
[M+Na-2H]- 455.45981 222.2
[M]+ 434.48459 238.4
[M]- 434.48569 238.4
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.