CID 167714762

Methyl 2-[5-(aminomethyl)-2-oxo-2,3-dihydro-1,3,4-oxadiazol-3-yl]acetate hydrochloride

Structural Information

Molecular Formula
C6H9N3O4
SMILES
COC(=O)CN1C(=O)OC(=N1)CN
InChI
InChI=1S/C6H9N3O4/c1-12-5(10)3-9-6(11)13-4(2-7)8-9/h2-3,7H2,1H3
InChIKey
YFJKGDRLLBYSOT-UHFFFAOYSA-N
Compound name
methyl 2-[5-(aminomethyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.05931 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.066586 135.3
[M+Na]+ 210.048528 145.0
[M-H]- 186.052034 137.3
[M+NH4]+ 205.093133 152.5
[M+K]+ 226.022468 145.5
[M+H-H2O]+ 170.056570 128.2
[M+HCOO]- 232.057511 158.7
[M+CH3COO]- 246.073161 181.2
[M+Na-2H]- 208.033976 140.2
[M]+ 187.05876142 139.0
[M]- 187.05985858 139.0
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

No patent data available for this compound.