CID 12708339

3-amino-3-(dimethylamino)prop-2-enenitrile

Structural Information

Molecular Formula
C5H9N3
SMILES
CN(C)/C(=C/C#N)/N
InChI
InChI=1S/C5H9N3/c1-8(2)5(7)3-4-6/h3H,7H2,1-2H3/b5-3+
InChIKey
IPCXNRMTXUVTFH-HWKANZROSA-N
Compound name
(E)-3-amino-3-(dimethylamino)prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

111.07965 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.086926 125.5
[M+Na]+ 134.068868 133.3
[M-H]- 110.072374 127.1
[M+NH4]+ 129.113473 145.7
[M+K]+ 150.042808 134.0
[M+H-H2O]+ 94.076910 113.7
[M+HCOO]- 156.077851 146.8
[M+CH3COO]- 170.093501 189.9
[M+Na-2H]- 132.054316 130.0
[M]+ 111.07910142 118.7
[M]- 111.08019858 118.7
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.