CID 19017716

76029-62-4

Structural Information

Molecular Formula
C4H8N2O2
SMILES
CCOC(=O)C(=N)N
InChI
InChI=1S/C4H8N2O2/c1-2-8-4(7)3(5)6/h2H2,1H3,(H3,5,6)
InChIKey
SAMSRYBWUYCCEM-UHFFFAOYSA-N
Compound name
ethyl 2-amino-2-iminoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

203
Patents

116.05858 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.06586 122.7
[M+Na]+ 139.04780 129.2
[M-H]- 115.05130 122.9
[M+NH4]+ 134.09240 144.3
[M+K]+ 155.02174 129.7
[M+H-H2O]+ 99.055840 117.6
[M+HCOO]- 161.05678 147.4
[M+CH3COO]- 175.07243 172.6
[M+Na-2H]- 137.03325 127.5
[M]+ 116.05803 120.5
[M]- 116.05913 120.5
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