CID 53411421

2-cyano-3-(dimethylamino)prop-2-enamide

Structural Information

Molecular Formula
C6H9N3O
SMILES
CN(C)C=C(C#N)C(=O)N
InChI
InChI=1S/C6H9N3O/c1-9(2)4-5(3-7)6(8)10/h4H,1-2H3,(H2,8,10)
InChIKey
XNZBBRSOQRITIK-UHFFFAOYSA-N
Compound name
2-cyano-3-(dimethylamino)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

139.07455 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.081826 132.8
[M+Na]+ 162.063768 140.2
[M-H]- 138.067274 134.3
[M+NH4]+ 157.108373 151.8
[M+K]+ 178.037708 141.1
[M+H-H2O]+ 122.071810 120.7
[M+HCOO]- 184.072751 153.3
[M+CH3COO]- 198.088401 194.4
[M+Na-2H]- 160.049216 135.5
[M]+ 139.07400142 126.3
[M]- 139.07509858 126.3
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