CID 53849879

137058-17-4

Structural Information

Molecular Formula
C9H16O3
SMILES
COC1CCC(CC1)C(=O)OC
InChI
InChI=1S/C9H16O3/c1-11-8-5-3-7(4-6-8)9(10)12-2/h7-8H,3-6H2,1-2H3
InChIKey
GPABZOTWBDPXNZ-UHFFFAOYSA-N
Compound name
methyl 4-methoxycyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

104
Patents

172.10994 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.117216 137.3
[M+Na]+ 195.099158 142.5
[M-H]- 171.102664 140.2
[M+NH4]+ 190.143763 157.6
[M+K]+ 211.073098 142.8
[M+H-H2O]+ 155.107200 131.8
[M+HCOO]- 217.108141 157.4
[M+CH3COO]- 231.123791 178.9
[M+Na-2H]- 193.084606 140.7
[M]+ 172.10939142 136.2
[M]- 172.11048858 136.2
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