CID 56936076

11z-pentacosene

Structural Information

Molecular Formula
C25H50
SMILES
CCCCCCCCCCCCC/C=C\CCCCCCCCCC
InChI
InChI=1S/C25H50/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2/h21,23H,3-20,22,24-25H2,1-2H3/b23-21-
InChIKey
MOUCJPJOGTYNTQ-LNVKXUELSA-N
Compound name
(Z)-pentacos-11-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.39127 Da
Monoisotopic Mass

12.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.39855 202.8
[M+Na]+ 373.38049 202.5
[M-H]- 349.38399 199.5
[M+NH4]+ 368.42509 216.3
[M+K]+ 389.35443 196.7
[M+H-H2O]+ 333.38853 195.0
[M+HCOO]- 395.38947 220.5
[M+CH3COO]- 409.40512 223.0
[M+Na-2H]- 371.36594 199.8
[M]+ 350.39072 210.6
[M]- 350.39182 210.6
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.