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

90
Patents

172.10994 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.11722 137.3
[M+Na]+ 195.09916 142.5
[M-H]- 171.10266 140.2
[M+NH4]+ 190.14376 157.6
[M+K]+ 211.07310 142.8
[M+H-H2O]+ 155.10720 131.8
[M+HCOO]- 217.10814 157.4
[M+CH3COO]- 231.12379 178.9
[M+Na-2H]- 193.08461 140.7
[M]+ 172.10939 136.2
[M]- 172.11049 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