CID 67248504

Ethyl 3-hydroxybicyclo[3.1.0]hexane-6-carboxylate

Structural Information

Molecular Formula
C9H14O3
SMILES
CCOC(=O)C1C2C1CC(C2)O
InChI
InChI=1S/C9H14O3/c1-2-12-9(11)8-6-3-5(10)4-7(6)8/h5-8,10H,2-4H2,1H3
InChIKey
UJQGBLCKEKGWPH-UHFFFAOYSA-N
Compound name
ethyl 3-hydroxybicyclo[3.1.0]hexane-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

138
Patents

170.0943 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.10158 135.9
[M+Na]+ 193.08352 145.6
[M-H]- 169.08702 140.0
[M+NH4]+ 188.12812 153.9
[M+K]+ 209.05746 142.5
[M+H-H2O]+ 153.09156 131.3
[M+HCOO]- 215.09250 156.1
[M+CH3COO]- 229.10815 180.7
[M+Na-2H]- 191.06897 139.1
[M]+ 170.09375 139.3
[M]- 170.09485 139.3
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