CID 90353744

1622928-67-9

Structural Information

Molecular Formula
C9H14O4
SMILES
COC(=O)C1(CCC(=O)CC1)OC
InChI
InChI=1S/C9H14O4/c1-12-8(11)9(13-2)5-3-7(10)4-6-9/h3-6H2,1-2H3
InChIKey
JHRDKESVFBZLOD-UHFFFAOYSA-N
Compound name
methyl 1-methoxy-4-oxocyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

186.0892 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.09648 137.8
[M+Na]+ 209.07842 144.2
[M-H]- 185.08192 141.1
[M+NH4]+ 204.12302 159.4
[M+K]+ 225.05236 144.7
[M+H-H2O]+ 169.08646 133.2
[M+HCOO]- 231.08740 158.3
[M+CH3COO]- 245.10305 179.7
[M+Na-2H]- 207.06387 142.6
[M]+ 186.08865 137.9
[M]- 186.08975 137.9
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