CID 130533155

(2e)-4-amino-n,n-dimethylbut-2-enamide hydrochloride

Structural Information

Molecular Formula
C6H12N2O
SMILES
CN(C)C(=O)/C=C/CN
InChI
InChI=1S/C6H12N2O/c1-8(2)6(9)4-3-5-7/h3-4H,5,7H2,1-2H3/b4-3+
InChIKey
GKODFRMSNWLBAD-ONEGZZNKSA-N
Compound name
(E)-4-amino-N,N-dimethylbut-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

128.09496 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.102236 128.5
[M+Na]+ 151.084178 134.7
[M-H]- 127.087684 129.9
[M+NH4]+ 146.128783 150.5
[M+K]+ 167.058118 135.2
[M+H-H2O]+ 111.092220 123.2
[M+HCOO]- 173.093161 153.9
[M+CH3COO]- 187.108811 179.3
[M+Na-2H]- 149.069626 132.9
[M]+ 128.09441142 127.6
[M]- 128.09550858 127.6
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