CID 222089

Ethyl 1-hydroxycyclohexanecarboxylate

Structural Information

Molecular Formula
C9H16O3
SMILES
CCOC(=O)C1(CCCCC1)O
InChI
InChI=1S/C9H16O3/c1-2-12-8(10)9(11)6-4-3-5-7-9/h11H,2-7H2,1H3
InChIKey
LVGBBZRMRVLEFH-UHFFFAOYSA-N
Compound name
ethyl 1-hydroxycyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

182
Patents

172.10994 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.11722 138.8
[M+Na]+ 195.09916 143.6
[M-H]- 171.10266 140.3
[M+NH4]+ 190.14376 160.1
[M+K]+ 211.07310 143.1
[M+H-H2O]+ 155.10720 134.2
[M+HCOO]- 217.10814 157.3
[M+CH3COO]- 231.12379 174.7
[M+Na-2H]- 193.08461 143.4
[M]+ 172.10939 135.8
[M]- 172.11049 135.8
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