CID 131697832

2-{3-hydroxybicyclo[1.1.1]pentan-1-yl}acetic acid

Structural Information

Molecular Formula
C7H10O3
SMILES
C1C2(CC1(C2)O)CC(=O)O
InChI
InChI=1S/C7H10O3/c8-5(9)1-6-2-7(10,3-6)4-6/h10H,1-4H2,(H,8,9)
InChIKey
KVGGTKHXQVRWSR-UHFFFAOYSA-N
Compound name
2-(3-hydroxy-1-bicyclo[1.1.1]pentanyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

142.06299 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.07027 150.9
[M+Na]+ 165.05221 154.2
[M-H]- 141.05571 152.2
[M+NH4]+ 160.09681 156.8
[M+K]+ 181.02615 159.7
[M+H-H2O]+ 125.06025 138.7
[M+HCOO]- 187.06119 161.7
[M+CH3COO]- 201.07684 200.2
[M+Na-2H]- 163.03766 156.7
[M]+ 142.06244 174.7
[M]- 142.06354 174.7
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

No patent data available for this compound.