CID 6430031

15-methylhentriacontane

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

923
Patents

450.51645 Da
Monoisotopic Mass

17.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.523726 235.7
[M+Na]+ 473.505668 232.0
[M-H]- 449.509174 231.0
[M+NH4]+ 468.550273 236.0
[M+K]+ 489.479608 225.3
[M+H-H2O]+ 433.513710 226.6
[M+HCOO]- 495.514651 246.8
[M+CH3COO]- 509.530301 245.5
[M+Na-2H]- 471.491116 227.6
[M]+ 450.51590142 246.2
[M]- 450.51699858 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