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

28
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

literature stripe

Patent stripe

patents stripe