CID 530410

15-methyltritriacontane

Structural Information

Molecular Formula
C34H70
SMILES
CCCCCCCCCCCCCCCCCCC(C)CCCCCCCCCCCCCC
InChI
InChI=1S/C34H70/c1-4-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-33-34(3)32-30-28-26-24-22-17-15-13-11-9-7-5-2/h34H,4-33H2,1-3H3
InChIKey
OKQGOONCABNXHR-UHFFFAOYSA-N
Compound name
15-methyltritriacontane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

478.54776 Da
Monoisotopic Mass

18.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.55504 244.1
[M+Na]+ 501.53698 239.5
[M-H]- 477.54048 225.4
[M+NH4]+ 496.58158 243.1
[M+K]+ 517.51092 232.3
[M+H-H2O]+ 461.54502 234.6
[M+HCOO]- 523.54596 253.2
[M+CH3COO]- 537.56161 251.2
[M+Na-2H]- 499.52243 235.0
[M]+ 478.54721 248.0
[M]- 478.54831 248.0
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