CID 15579848

3-hydroxybicyclo[1.1.1]pentane-1-carboxylic acid

Structural Information

Molecular Formula
C6H8O3
SMILES
C1C2(CC1(C2)O)C(=O)O
InChI
InChI=1S/C6H8O3/c7-4(8)5-1-6(9,2-5)3-5/h9H,1-3H2,(H,7,8)
InChIKey
ZKOGUEYDDZLAJB-UHFFFAOYSA-N
Compound name
3-hydroxybicyclo[1.1.1]pentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

128.04735 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.05463 143.3
[M+Na]+ 151.03657 139.7
[M+NH4]+ 146.08117 142.6
[M+K]+ 167.01051 138.4
[M-H]- 127.04007 135.0
[M+Na-2H]- 149.02202 139.0
[M]+ 128.04680 137.7
[M]- 128.04790 137.7
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