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]+ 219.16043 150.0
[M+Na]+ 241.14237 154.1
[M-H]- 217.14587 153.9
[M+NH4]+ 236.18697 166.7
[M+K]+ 257.11631 151.4
[M+H-H2O]+ 201.15041 140.4
[M+HCOO]- 263.15135 172.5
[M+CH3COO]- 277.16700 193.0
[M+Na-2H]- 239.12782 153.9
[M]+ 218.15260 145.4
[M]- 218.15370 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.