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]+ 112.08693 125.5
[M+Na]+ 134.06887 133.3
[M-H]- 110.07237 127.1
[M+NH4]+ 129.11347 145.7
[M+K]+ 150.04281 134.0
[M+H-H2O]+ 94.076910 113.7
[M+HCOO]- 156.07785 146.8
[M+CH3COO]- 170.09350 189.9
[M+Na-2H]- 132.05432 130.0
[M]+ 111.07910 118.7
[M]- 111.08020 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.