CID 10947

3-methylcyclopentadecanone

Structural Information

Molecular Formula
C16H30O
SMILES
CC1CCCCCCCCCCCCC(=O)C1
InChI
InChI=1S/C16H30O/c1-15-12-10-8-6-4-2-3-5-7-9-11-13-16(17)14-15/h15H,2-14H2,1H3
InChIKey
ALHUZKCOMYUFRB-UHFFFAOYSA-N
Compound name
3-methylcyclopentadecan-1-one
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

113
References

8941
Patents

238.22966 Da
Monoisotopic Mass

6.2
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.