CID 20664916

2-isocyanoacetamide

Structural Information

Molecular Formula
C3H4N2O
SMILES
[C-]#[N+]CC(=O)N
InChI
InChI=1S/C3H4N2O/c1-5-2-3(4)6/h2H2,(H2,4,6)
InChIKey
LEJHVKQQJBFEBQ-UHFFFAOYSA-N
Compound name
2-isocyanoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

268
Patents

84.032364 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 85.039640 118.5
[M+Na]+ 107.02158 127.6
[M-H]- 83.025088 118.0
[M+NH4]+ 102.06619 138.6
[M+K]+ 122.99552 122.8
[M+H-H2O]+ 67.029624 112.4
[M+HCOO]- 129.03056 138.6
[M+CH3COO]- 143.04622 170.0
[M+Na-2H]- 105.00703 125.3
[M]+ 84.031815 108.9
[M]- 84.032913 108.9
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.