CID 10785

2-hydroxycyclohexan-1-one

Structural Information

Molecular Formula
C6H10O2
SMILES
C1CCC(=O)C(C1)O
InChI
InChI=1S/C6H10O2/c7-5-3-1-2-4-6(5)8/h5,7H,1-4H2
InChIKey
ODZTXUXIYGJLMC-UHFFFAOYSA-N
Compound name
2-hydroxycyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

9
References

1479
Patents

114.06808 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.07536 121.0
[M+Na]+ 137.05730 127.3
[M-H]- 113.06080 123.0
[M+NH4]+ 132.10190 142.9
[M+K]+ 153.03124 126.4
[M+H-H2O]+ 97.065340 116.4
[M+HCOO]- 159.06628 141.3
[M+CH3COO]- 173.08193 164.9
[M+Na-2H]- 135.04275 126.7
[M]+ 114.06753 116.2
[M]- 114.06863 116.2
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