CID 12386946

2-hydroxybicyclo[2.2.1]heptane-2-carboxylic acid

Structural Information

Molecular Formula

C₈H₁₂O₃

SMILES

C1CC2CC1CC2(C(=O)O)O

InChI

InChI=1S/C8H12O3/c9-7(10)8(11)4-5-1-2-6(8)3-5/h5-6,11H,1-4H2,(H,9,10)

InChIKey

NLJMUWHNMKOGBO-UHFFFAOYSA-N

Compound name

2-hydroxybicyclo[2.2.1]heptane-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 156.07864 Da
Monoisotopic Mass: 0.7
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]+	157.08592	133.1
[M+Na]+	179.06786	139.9
[M+NH4]+	174.11246	142.6
[M+K]+	195.04180	137.9
[M-H]-	155.07136	131.3
[M+Na-2H]-	177.05331	134.3
[M]+	156.07809	133.2
[M]-	156.07919	133.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe