CID 56936235

21-methyl-7-hentriacontanone

Structural Information

Molecular Formula
C32H64O
SMILES
CCCCCCCCCCC(C)CCCCCCCCCCCCCC(=O)CCCCCC
InChI
InChI=1S/C32H64O/c1-4-6-8-10-11-17-20-23-27-31(3)28-24-21-18-15-13-12-14-16-19-22-26-30-32(33)29-25-9-7-5-2/h31H,4-30H2,1-3H3
InChIKey
YNYSRWCPCRALCK-UHFFFAOYSA-N
Compound name
21-methylhentriacontan-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

464.49573 Da
Monoisotopic Mass

14.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.50301 238.3
[M+Na]+ 487.48495 234.6
[M-H]- 463.48845 219.7
[M+NH4]+ 482.52955 236.4
[M+K]+ 503.45889 228.3
[M+H-H2O]+ 447.49299 229.2
[M+HCOO]- 509.49393 243.2
[M+CH3COO]- 523.50958 247.0
[M+Na-2H]- 485.47040 229.0
[M]+ 464.49518 238.6
[M]- 464.49628 238.6
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.