CID 534824

17429-00-4

Structural Information

Molecular Formula
C7H12O2
SMILES
COC1CCCC(=O)C1
InChI
InChI=1S/C7H12O2/c1-9-7-4-2-3-6(8)5-7/h7H,2-5H2,1H3
InChIKey
VYUKCVLHGXBZDF-UHFFFAOYSA-N
Compound name
3-methoxycyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

128.08372 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.09100 124.6
[M+Na]+ 151.07294 131.0
[M-H]- 127.07644 127.9
[M+NH4]+ 146.11754 146.8
[M+K]+ 167.04688 130.8
[M+H-H2O]+ 111.08098 119.7
[M+HCOO]- 173.08192 146.2
[M+CH3COO]- 187.09757 170.6
[M+Na-2H]- 149.05839 130.4
[M]+ 128.08317 122.1
[M]- 128.08427 122.1
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.