CID 58085536

3-hydroxy-2-methylcyclohexan-1-one

Structural Information

Molecular Formula
C7H12O2
SMILES
CC1C(CCCC1=O)O
InChI
InChI=1S/C7H12O2/c1-5-6(8)3-2-4-7(5)9/h5-6,8H,2-4H2,1H3
InChIKey
ZBNASJDWWRBWPS-UHFFFAOYSA-N
Compound name
3-hydroxy-2-methylcyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

128.08372 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.090996 124.8
[M+Na]+ 151.072938 131.7
[M-H]- 127.076444 127.1
[M+NH4]+ 146.117543 146.6
[M+K]+ 167.046878 130.6
[M+H-H2O]+ 111.080980 120.4
[M+HCOO]- 173.081921 144.8
[M+CH3COO]- 187.097571 169.1
[M+Na-2H]- 149.058386 129.4
[M]+ 128.08317142 120.8
[M]- 128.08426858 120.8
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

patents stripe