CID 11636

Heptacosane

Structural Information

Molecular Formula
C27H56
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C27H56/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-27H2,1-2H3
InChIKey
BJQWYEJQWHSSCJ-UHFFFAOYSA-N
Compound name
heptacosane
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

24
References

7189
Patents

380.4382 Da
Monoisotopic Mass

14.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.445476 213.0
[M+Na]+ 403.427418 211.5
[M-H]- 379.430924 209.2
[M+NH4]+ 398.472023 225.2
[M+K]+ 419.401358 205.7
[M+H-H2O]+ 363.435460 204.7
[M+HCOO]- 425.436401 229.7
[M+CH3COO]- 439.452051 230.3
[M+Na-2H]- 401.412866 208.8
[M]+ 380.43765142 222.3
[M]- 380.43874858 222.3
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