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

332
Patents

102.03169 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 103.03897 117.3
[M+Na]+ 125.02091 127.6
[M-H]- 101.02441 122.2
[M+NH4]+ 120.06551 135.5
[M+K]+ 140.99485 128.7
[M+H-H2O]+ 85.028950 113.3
[M+HCOO]- 147.02989 139.0
[M+CH3COO]- 161.04554 166.4
[M+Na-2H]- 123.00636 126.4
[M]+ 102.03114 121.3
[M]- 102.03224 121.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe