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]+ 128.08184 128.9
[M+Na]+ 150.06378 136.2
[M-H]- 126.06728 129.2
[M+NH4]+ 145.10838 147.8
[M+K]+ 166.03772 136.7
[M+H-H2O]+ 110.07182 117.0
[M+HCOO]- 172.07276 149.1
[M+CH3COO]- 186.08841 189.4
[M+Na-2H]- 148.04923 132.8
[M]+ 127.07401 121.6
[M]- 127.07511 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.