CID 3077722

3-pyridinecarboximidamide, n-(2-(1-pyrrolidinyl)ethyl)-, monohydrochloride

Structural Information

Molecular Formula
C12H18N4
SMILES
C1CCN(C1)CCN=C(C2=CN=CC=C2)N
InChI
InChI=1S/C12H18N4/c13-12(11-4-3-5-14-10-11)15-6-9-16-7-1-2-8-16/h3-5,10H,1-2,6-9H2,(H2,13,15)
InChIKey
QSNOVTGEJJFEKT-UHFFFAOYSA-N
Compound name
N'-(2-pyrrolidin-1-ylethyl)pyridine-3-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.15315 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.160426 150.0
[M+Na]+ 241.142368 154.1
[M-H]- 217.145874 153.9
[M+NH4]+ 236.186973 166.7
[M+K]+ 257.116308 151.4
[M+H-H2O]+ 201.150410 140.4
[M+HCOO]- 263.151351 172.5
[M+CH3COO]- 277.167001 193.0
[M+Na-2H]- 239.127816 153.9
[M]+ 218.15260142 145.4
[M]- 218.15369858 145.4
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.