CID 12535

Triacontane

Structural Information

Molecular Formula
C30H62
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C30H62/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-30H2,1-2H3
InChIKey
JXTPJDDICSTXJX-UHFFFAOYSA-N
Compound name
triacontane
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

30
References

98827
Patents

422.48514 Da
Monoisotopic Mass

15.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.492416 225.8
[M+Na]+ 445.474358 223.0
[M-H]- 421.477864 221.3
[M+NH4]+ 440.518963 236.3
[M+K]+ 461.448298 216.4
[M+H-H2O]+ 405.482400 216.9
[M+HCOO]- 467.483341 241.5
[M+CH3COO]- 481.498991 239.1
[M+Na-2H]- 443.459806 220.0
[M]+ 422.48459142 236.2
[M]- 422.48568858 236.2
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