CID 53674381

Methyl 3-amino-3-oxopropanimidate

Structural Information

Molecular Formula
C4H8N2O2
SMILES
COC(=N)CC(=O)N
InChI
InChI=1S/C4H8N2O2/c1-8-4(6)2-3(5)7/h6H,2H2,1H3,(H2,5,7)
InChIKey
BCCJOLHTHATCKK-UHFFFAOYSA-N
Compound name
methyl 3-amino-3-oxopropanimidate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

116.05858 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.065856 122.5
[M+Na]+ 139.047798 128.9
[M-H]- 115.051304 122.6
[M+NH4]+ 134.092403 144.0
[M+K]+ 155.021738 129.4
[M+H-H2O]+ 99.055840 117.4
[M+HCOO]- 161.056781 147.1
[M+CH3COO]- 175.072431 173.3
[M+Na-2H]- 137.033246 127.3
[M]+ 116.05803142 120.3
[M]- 116.05912858 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

No literature data available for this compound.

Patent stripe

patents stripe