CID 528972

1-pentacosene

Structural Information

Molecular Formula
C25H50
SMILES
CCCCCCCCCCCCCCCCCCCCCCCC=C
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/h3H,1,4-25H2,2H3
InChIKey
BDWBGSCECOPTTH-UHFFFAOYSA-N
Compound name
pentacos-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

1768
Patents

350.39127 Da
Monoisotopic Mass

13.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.39855 202.5
[M+Na]+ 373.38049 202.2
[M-H]- 349.38399 199.2
[M+NH4]+ 368.42509 216.0
[M+K]+ 389.35443 196.3
[M+H-H2O]+ 333.38853 194.7
[M+HCOO]- 395.38947 220.2
[M+CH3COO]- 409.40512 223.7
[M+Na-2H]- 371.36594 199.5
[M]+ 350.39072 210.4
[M]- 350.39182 210.4
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