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: 339
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]+	103.038966	117.3
[M+Na]+	125.020908	127.6
[M-H]-	101.024414	122.2
[M+NH4]+	120.065513	135.5
[M+K]+	140.994848	128.7
[M+H-H2O]+	85.028950	113.3
[M+HCOO]-	147.029891	139.0
[M+CH3COO]-	161.045541	166.4
[M+Na-2H]-	123.006356	126.4
[M]+	102.03114142	121.3
[M]-	102.03223858	121.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe