CID 21785500

2-isocyano-n-methylacetamide

Structural Information

Molecular Formula
C4H6N2O
SMILES
CNC(=O)C[N+]#[C-]
InChI
InChI=1S/C4H6N2O/c1-5-3-4(7)6-2/h3H2,2H3,(H,6,7)
InChIKey
VASXYNGEBJCXBV-UHFFFAOYSA-N
Compound name
2-isocyano-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

98.04801 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.055286 122.3
[M+Na]+ 121.03723 131.0
[M-H]- 97.040734 122.1
[M+NH4]+ 116.08183 142.2
[M+K]+ 137.01117 126.4
[M+H-H2O]+ 81.045270 116.0
[M+HCOO]- 143.04621 142.7
[M+CH3COO]- 157.06186 172.8
[M+Na-2H]- 119.02268 129.6
[M]+ 98.047461 113.8
[M]- 98.048559 113.8
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

patents stripe