CID 11062319

96150-05-9

Structural Information

Molecular Formula
C4H6O3
SMILES
C[C@H]1[C@@H](O1)C(=O)O
InChI
InChI=1S/C4H6O3/c1-2-3(7-2)4(5)6/h2-3H,1H3,(H,5,6)/t2-,3+/m0/s1
InChIKey
SEDGGCMDYFKAQN-STHAYSLISA-N
Compound name
(2R,3S)-3-methyloxirane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

102.03169 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 103.03897 116.3
[M+Na]+ 125.02091 126.9
[M-H]- 101.02441 121.2
[M+NH4]+ 120.06551 133.0
[M+K]+ 140.99485 126.9
[M+H-H2O]+ 85.028950 111.3
[M+HCOO]- 147.02989 138.4
[M+CH3COO]- 161.04554 167.9
[M+Na-2H]- 123.00636 123.8
[M]+ 102.03114 120.3
[M]- 102.03224 120.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe