CID 28952046

6-hydroxyspiro[3.3]heptane-2-carboxylic acid

Structural Information

Molecular Formula

C₈H₁₂O₃

SMILES

C1C(CC12CC(C2)O)C(=O)O

InChI

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

InChIKey

HEISQWDGPBUKAW-UHFFFAOYSA-N

Compound name

2-hydroxyspiro[3.3]heptane-6-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 156.07864 Da
Monoisotopic Mass: 0.2
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	140.6
[M+Na]+	179.06786	140.6
[M+NH4]+	174.11246	141.4
[M+K]+	195.04180	139.1
[M-H]-	155.07136	135.6
[M+Na-2H]-	177.05331	139.7
[M]+	156.07809	136.9
[M]-	156.07919	136.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe