CID 84114

Pseudourea, 1-cyano-2-ethyl-

Structural Information

Molecular Formula
C4H7N3O
SMILES
CCOC(=NC#N)N
InChI
InChI=1S/C4H7N3O/c1-2-8-4(6)7-3-5/h2H2,1H3,(H2,6,7)
InChIKey
GZDJNVITGJORKZ-UHFFFAOYSA-N
Compound name
ethyl N'-cyanocarbamimidate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

113.058914 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.06619 122.0
[M+Na]+ 136.04813 130.4
[M-H]- 112.05164 123.7
[M+NH4]+ 131.09274 142.2
[M+K]+ 152.02207 131.5
[M+H-H2O]+ 96.056174 110.2
[M+HCOO]- 158.05712 144.8
[M+CH3COO]- 172.07276 187.6
[M+Na-2H]- 134.03358 128.3
[M]+ 113.05837 116.7
[M]- 113.05946 116.7
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