CID 118194

Cyclopentadecanone, 4-methyl-

Structural Information

Molecular Formula
C16H30O
SMILES
CC1CCCCCCCCCCCC(=O)CC1
InChI
InChI=1S/C16H30O/c1-15-11-9-7-5-3-2-4-6-8-10-12-16(17)14-13-15/h15H,2-14H2,1H3
InChIKey
UZPGQSNVEPBXNO-UHFFFAOYSA-N
Compound name
4-methylcyclopentadecan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

80
Patents

238.22966 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.23694 159.3
[M+Na]+ 261.21888 159.9
[M-H]- 237.22238 159.5
[M+NH4]+ 256.26348 173.5
[M+K]+ 277.19282 158.6
[M+H-H2O]+ 221.22692 156.2
[M+HCOO]- 283.22786 173.5
[M+CH3COO]- 297.24351 184.9
[M+Na-2H]- 259.20433 158.1
[M]+ 238.22911 146.5
[M]- 238.23021 146.5
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