CID 10240774

(2r)-2-methyloxirane-2-carboxylic acid

Structural Information

Molecular Formula

C₄H₆O₃

SMILES

C[C@@]1(CO1)C(=O)O

InChI

InChI=1S/C4H6O3/c1-4(2-7-4)3(5)6/h2H2,1H3,(H,5,6)/t4-/m1/s1

InChIKey

CSEUSVYSDPXJAP-SCSAIBSYSA-N

Compound name

(2R)-2-methyloxirane-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 145
Patents: 102.03169 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]+	103.03897	120.7
[M+Na]+	125.02091	132.6
[M+NH4]+	120.06551	130.3
[M+K]+	140.99485	128.9
[M-H]-	101.02441	128.8
[M+Na-2H]-	123.00636	128.8
[M]+	102.03114	125.8
[M]-	102.03224	125.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe