CID 155020

2-isocyano-n,n-dimethylacetamide

Structural Information

Molecular Formula
C5H8N2O
SMILES
CN(C)C(=O)C[N+]#[C-]
InChI
InChI=1S/C5H8N2O/c1-6-4-5(8)7(2)3/h4H2,2-3H3
InChIKey
YTLIISRHCPJHLB-UHFFFAOYSA-N
Compound name
2-isocyano-N,N-dimethylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

112.06366 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.070936 126.2
[M+Na]+ 135.052878 134.7
[M-H]- 111.056384 127.2
[M+NH4]+ 130.097483 146.2
[M+K]+ 151.026818 131.0
[M+H-H2O]+ 95.060920 119.6
[M+HCOO]- 157.061861 146.8
[M+CH3COO]- 171.077511 178.9
[M+Na-2H]- 133.038326 132.4
[M]+ 112.06311142 119.1
[M]- 112.06420858 119.1
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