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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	143.070266	150.9
[M+Na]+	165.052208	154.2
[M-H]-	141.055714	152.2
[M+NH4]+	160.096813	156.8
[M+K]+	181.026148	159.7
[M+H-H2O]+	125.060250	138.7
[M+HCOO]-	187.061191	161.7
[M+CH3COO]-	201.076841	200.2
[M+Na-2H]-	163.037656	156.7
[M]+	142.06244142	174.7
[M]-	142.06353858	174.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.