CID 178199945

Ethyl (1r,2r,5s,6r)-2-hydroxybicyclo[3.1.0]hexane-6-carboxylate

Structural Information

Molecular Formula
C9H14O3
SMILES
CCOC(=O)[C@@H]1[C@@H]2[C@H]1[C@@H](CC2)O
InChI
InChI=1S/C9H14O3/c1-2-12-9(11)8-5-3-4-6(10)7(5)8/h5-8,10H,2-4H2,1H3/t5-,6+,7-,8+/m0/s1
InChIKey
RBXCMMRRMCXTGF-FKSUSPILSA-N
Compound name
ethyl (1R,2R,5S,6R)-2-hydroxybicyclo[3.1.0]hexane-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.0943 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.101576 135.9
[M+Na]+ 193.083518 145.6
[M-H]- 169.087024 140.0
[M+NH4]+ 188.128123 153.9
[M+K]+ 209.057458 142.5
[M+H-H2O]+ 153.091560 131.3
[M+HCOO]- 215.092501 156.1
[M+CH3COO]- 229.108151 180.7
[M+Na-2H]- 191.068966 139.1
[M]+ 170.09375142 139.3
[M]- 170.09484858 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

No patent data available for this compound.