CID 14116138

39590-75-5

Structural Information

Molecular Formula

C₆H₁₀O₃

SMILES

CC1(CC1(C(=O)O)O)C

InChI

InChI=1S/C6H10O3/c1-5(2)3-6(5,9)4(7)8/h9H,3H2,1-2H3,(H,7,8)

InChIKey

RBUDJUDGTCPQRD-UHFFFAOYSA-N

Compound name

1-hydroxy-2,2-dimethylcyclopropane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 130.06299 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]+	131.070266	124.7
[M+Na]+	153.052208	135.3
[M-H]-	129.055714	127.9
[M+NH4]+	148.096813	144.6
[M+K]+	169.026148	134.7
[M+H-H2O]+	113.060250	122.8
[M+HCOO]-	175.061191	144.9
[M+CH3COO]-	189.076841	170.7
[M+Na-2H]-	151.037656	132.0
[M]+	130.06244142	128.0
[M]-	130.06353858	128.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe