CID 6430398

14-methyltetratriacontane

Structural Information

Molecular Formula
C35H72
SMILES
CCCCCCCCCCCCCCCCCCCCC(C)CCCCCCCCCCCCC
InChI
InChI=1S/C35H72/c1-4-6-8-10-12-14-16-17-18-19-20-21-22-24-26-28-30-32-34-35(3)33-31-29-27-25-23-15-13-11-9-7-5-2/h35H,4-34H2,1-3H3
InChIKey
ABLJIGCAJNDMGG-UHFFFAOYSA-N
Compound name
14-methyltetratriacontane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

492.56342 Da
Monoisotopic Mass

18.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.57070 248.3
[M+Na]+ 515.55264 256.0
[M-H]- 491.55614 228.5
[M+NH4]+ 510.59724 246.5
[M+K]+ 531.52658 235.8
[M+H-H2O]+ 475.56068 238.6
[M+HCOO]- 537.56162 256.4
[M+CH3COO]- 551.57727 254.0
[M+Na-2H]- 513.53809 238.6
[M]+ 492.56287 251.4
[M]- 492.56397 251.4
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