CID 12410

Hentriacontane

Structural Information

Molecular Formula
C31H64
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C31H64/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/h3-31H2,1-2H3
InChIKey
IUJAMGNYPWYUPM-UHFFFAOYSA-N
Compound name
hentriacontane
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

42
References

66028
Patents

436.5008 Da
Monoisotopic Mass

16.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.50808 230.0
[M+Na]+ 459.49002 226.8
[M-H]- 435.49352 225.3
[M+NH4]+ 454.53462 231.5
[M+K]+ 475.46396 220.0
[M+H-H2O]+ 419.49806 220.9
[M+HCOO]- 481.49900 246.6
[M+CH3COO]- 495.51465 241.9
[M+Na-2H]- 457.47547 223.7
[M]+ 436.50025 240.8
[M]- 436.50135 240.8
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