CID 2167884

2-cyano-n-cyclopropylacetamide

Structural Information

Molecular Formula
C6H8N2O
SMILES
C1CC1NC(=O)CC#N
InChI
InChI=1S/C6H8N2O/c7-4-3-6(9)8-5-1-2-5/h5H,1-3H2,(H,8,9)
InChIKey
RDHCFMIWCSJGJM-UHFFFAOYSA-N
Compound name
2-cyano-N-cyclopropylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

77
Patents

124.06366 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.070936 122.3
[M+Na]+ 147.052878 136.5
[M-H]- 123.056384 128.7
[M+NH4]+ 142.097483 139.4
[M+K]+ 163.026818 132.0
[M+H-H2O]+ 107.060920 112.9
[M+HCOO]- 169.061861 145.1
[M+CH3COO]- 183.077511 189.0
[M+Na-2H]- 145.038326 130.5
[M]+ 124.06311142 120.9
[M]- 124.06420858 120.9
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