CID 101871

2-(hydroxymethylene)cyclohexan-1-one

Structural Information

Molecular Formula
C7H10O2
SMILES
C1CCC(=O)C(=CO)C1
InChI
InChI=1S/C7H10O2/c8-5-6-3-1-2-4-7(6)9/h5,8H,1-4H2
InChIKey
ORTWDKQPXZLPCA-UHFFFAOYSA-N
Compound name
2-(hydroxymethylidene)cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

57
Patents

126.06808 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.07536 125.6
[M+Na]+ 149.05730 136.3
[M+NH4]+ 144.10190 134.0
[M+K]+ 165.03124 130.6
[M-H]- 125.06080 126.6
[M+Na-2H]- 147.04275 130.2
[M]+ 126.06753 127.1
[M]- 126.06863 127.1
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