CID 145751

Methyl oxirane-2-carboxylate

Structural Information

Molecular Formula
C4H6O3
SMILES
COC(=O)C1CO1
InChI
InChI=1S/C4H6O3/c1-6-4(5)3-2-7-3/h3H,2H2,1H3
InChIKey
YKNYRRVISWJDSR-UHFFFAOYSA-N
Compound name
methyl oxirane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1620
Patents

102.03169 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 103.03897 117.9
[M+Na]+ 125.02091 128.1
[M-H]- 101.02441 123.8
[M+NH4]+ 120.06551 135.0
[M+K]+ 140.99485 129.1
[M+H-H2O]+ 85.028950 112.3
[M+HCOO]- 147.02989 141.5
[M+CH3COO]- 161.04554 168.7
[M+Na-2H]- 123.00636 126.3
[M]+ 102.03114 123.1
[M]- 102.03224 123.1
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