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

264
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

literature stripe

Patent stripe

patents stripe