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

95
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 146.8
[M+Na]+ 151.03657 150.5
[M-H]- 127.04007 148.3
[M+NH4]+ 146.08117 153.2
[M+K]+ 167.01051 156.2
[M+H-H2O]+ 111.04461 134.8
[M+HCOO]- 173.04555 157.9
[M+CH3COO]- 187.06120 198.0
[M+Na-2H]- 149.02202 153.1
[M]+ 128.04680 170.4
[M]- 128.04790 170.4
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

patents stripe