CID 56936172

3,7,11-trimethylheptacosane

Structural Information

Molecular Formula
C30H62
SMILES
CCCCCCCCCCCCCCCCC(C)CCCC(C)CCCC(C)CC
InChI
InChI=1S/C30H62/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-23-29(4)26-22-27-30(5)25-21-24-28(3)7-2/h28-30H,6-27H2,1-5H3
InChIKey
QVGGKRPICGQKFP-UHFFFAOYSA-N
Compound name
3,7,11-trimethylheptacosane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

422.48514 Da
Monoisotopic Mass

15.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.492416 229.2
[M+Na]+ 445.474358 225.9
[M-H]- 421.477864 225.0
[M+NH4]+ 440.518963 230.4
[M+K]+ 461.448298 220.6
[M+H-H2O]+ 405.482400 220.7
[M+HCOO]- 467.483341 234.2
[M+CH3COO]- 481.498991 241.1
[M+Na-2H]- 443.459806 219.5
[M]+ 422.48459142 237.6
[M]- 422.48568858 237.6
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

patents stripe