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 124.8
[M+Na]+ 151.03657 133.9
[M-H]- 127.04007 128.4
[M+NH4]+ 146.08117 137.6
[M+K]+ 167.01051 134.7
[M+H-H2O]+ 111.04461 117.1
[M+HCOO]- 173.04555 143.3
[M+CH3COO]- 187.06120 174.2
[M+Na-2H]- 149.02202 131.7
[M]+ 128.04680 135.4
[M]- 128.04790 135.4
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.