CID 20648314

3-methylpentadecan-2-one

Structural Information

Molecular Formula
C16H32O
SMILES
CCCCCCCCCCCCC(C)C(=O)C
InChI
InChI=1S/C16H32O/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)16(3)17/h15H,4-14H2,1-3H3
InChIKey
OHERYIXJQJIISS-UHFFFAOYSA-N
Compound name
3-methylpentadecan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

240.24532 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.25260 167.3
[M+Na]+ 263.23454 170.3
[M-H]- 239.23804 166.0
[M+NH4]+ 258.27914 185.1
[M+K]+ 279.20848 168.2
[M+H-H2O]+ 223.24258 161.3
[M+HCOO]- 285.24352 186.3
[M+CH3COO]- 299.25917 200.2
[M+Na-2H]- 261.21999 166.5
[M]+ 240.24477 171.9
[M]- 240.24587 171.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.