CID 3033764

97482-17-2

Structural Information

Molecular Formula
C9H14N4
SMILES
CN(C)/C=C/1\CCCN=C1NC#N
InChI
InChI=1S/C9H14N4/c1-13(2)6-8-4-3-5-11-9(8)12-7-10/h6H,3-5H2,1-2H3,(H,11,12)/b8-6+
InChIKey
ZAYPNVUOUHTVIV-SOFGYWHQSA-N
Compound name
[(5E)-5-(dimethylaminomethylidene)-3,4-dihydro-2H-pyridin-6-yl]cyanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.12184 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.129116 140.1
[M+Na]+ 201.111058 147.0
[M-H]- 177.114564 142.5
[M+NH4]+ 196.155663 156.8
[M+K]+ 217.084998 145.5
[M+H-H2O]+ 161.119100 126.1
[M+HCOO]- 223.120041 159.3
[M+CH3COO]- 237.135691 199.6
[M+Na-2H]- 199.096506 145.0
[M]+ 178.12129142 131.9
[M]- 178.12238858 131.9
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.