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

14
Patents

139.07455 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.08183 132.8
[M+Na]+ 162.06377 140.2
[M-H]- 138.06727 134.3
[M+NH4]+ 157.10837 151.8
[M+K]+ 178.03771 141.1
[M+H-H2O]+ 122.07181 120.7
[M+HCOO]- 184.07275 153.3
[M+CH3COO]- 198.08840 194.4
[M+Na-2H]- 160.04922 135.5
[M]+ 139.07400 126.3
[M]- 139.07510 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.