CID 3040204

51806-97-4

Structural Information

Molecular Formula
C5H9N3O
SMILES
CC(C#N)NC(=O)CN
InChI
InChI=1S/C5H9N3O/c1-4(2-6)8-5(9)3-7/h4H,3,7H2,1H3,(H,8,9)
InChIKey
XEYWWZMMGPFGKD-UHFFFAOYSA-N
Compound name
2-amino-N-(1-cyanoethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

127.07456 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.081836 128.9
[M+Na]+ 150.063778 136.2
[M-H]- 126.067284 129.2
[M+NH4]+ 145.108383 147.8
[M+K]+ 166.037718 136.7
[M+H-H2O]+ 110.071820 117.0
[M+HCOO]- 172.072761 149.1
[M+CH3COO]- 186.088411 189.4
[M+Na-2H]- 148.049226 132.8
[M]+ 127.07401142 121.6
[M]- 127.07510858 121.6
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.