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

88
Patents

128.04735 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.054626 146.8
[M+Na]+ 151.036568 150.5
[M-H]- 127.040074 148.3
[M+NH4]+ 146.081173 153.2
[M+K]+ 167.010508 156.2
[M+H-H2O]+ 111.044610 134.8
[M+HCOO]- 173.045551 157.9
[M+CH3COO]- 187.061201 198.0
[M+Na-2H]- 149.022016 153.1
[M]+ 128.04680142 170.4
[M]- 128.04789858 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