CID 12530968

2-hydroxy-4,4-dimethylcyclopentan-1-one

Structural Information

Molecular Formula
C7H12O2
SMILES
CC1(CC(C(=O)C1)O)C
InChI
InChI=1S/C7H12O2/c1-7(2)3-5(8)6(9)4-7/h5,8H,3-4H2,1-2H3
InChIKey
YIZXMQAADXVDOO-UHFFFAOYSA-N
Compound name
2-hydroxy-4,4-dimethylcyclopentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

128.08372 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.09100 124.1
[M+Na]+ 151.07294 132.8
[M-H]- 127.07644 126.9
[M+NH4]+ 146.11754 149.7
[M+K]+ 167.04688 131.6
[M+H-H2O]+ 111.08098 121.0
[M+HCOO]- 173.08192 146.2
[M+CH3COO]- 187.09757 168.4
[M+Na-2H]- 149.05839 128.7
[M]+ 128.08317 122.4
[M]- 128.08427 122.4
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