CID 138040499

2247104-02-3

Structural Information

Molecular Formula
C6H8O3
SMILES
C1[C@@H]2[C@]1(C[C@H]2O)C(=O)O
InChI
InChI=1S/C6H8O3/c7-4-2-6(5(8)9)1-3(4)6/h3-4,7H,1-2H2,(H,8,9)/t3-,4+,6-/m0/s1
InChIKey
QNKKPMSKYVHIFK-RPDRRWSUSA-N
Compound name
(1S,3R,4R)-3-hydroxybicyclo[2.1.0]pentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

128.04735 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.05463 127.4
[M+Na]+ 151.03657 134.3
[M+NH4]+ 146.08117 133.4
[M+K]+ 167.01051 132.2
[M-H]- 127.04007 131.1
[M+Na-2H]- 149.02202 131.6
[M]+ 128.04680 129.3
[M]- 128.04790 129.3
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.