CID 56936159

13-methyltetratriacontane

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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

No patent data available for this compound.