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

8
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]+ 121.037228 131.0
[M-H]- 97.040734 122.1
[M+NH4]+ 116.081833 142.2
[M+K]+ 137.011168 126.4
[M+H-H2O]+ 81.045270 116.0
[M+HCOO]- 143.046211 142.7
[M+CH3COO]- 157.061861 172.8
[M+Na-2H]- 119.022676 129.6
[M]+ 98.04746142 113.8
[M]- 98.04855858 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