CID 527410

5-methylhentriacontane

Structural Information

Molecular Formula
C32H66
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCC(C)CCCC
InChI
InChI=1S/C32H66/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-31-32(3)30-7-5-2/h32H,4-31H2,1-3H3
InChIKey
LRFHJFYLGVEQSB-UHFFFAOYSA-N
Compound name
5-methylhentriacontane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

450.51645 Da
Monoisotopic Mass

17.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.52373 235.7
[M+Na]+ 473.50567 232.0
[M-H]- 449.50917 231.0
[M+NH4]+ 468.55027 236.0
[M+K]+ 489.47961 225.3
[M+H-H2O]+ 433.51371 226.6
[M+HCOO]- 495.51465 246.8
[M+CH3COO]- 509.53030 245.5
[M+Na-2H]- 471.49112 227.6
[M]+ 450.51590 246.2
[M]- 450.51700 246.2
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