CID 24703420

3-(piperidin-1-ylmethyl)benzene-1-carboximidamide dihydrochloride

Structural Information

Molecular Formula
C13H19N3
SMILES
C1CCN(CC1)CC2=CC(=CC=C2)C(=N)N
InChI
InChI=1S/C13H19N3/c14-13(15)12-6-4-5-11(9-12)10-16-7-2-1-3-8-16/h4-6,9H,1-3,7-8,10H2,(H3,14,15)
InChIKey
SSYQUUOYPACNDI-UHFFFAOYSA-N
Compound name
3-(piperidin-1-ylmethyl)benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.1579 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.165176 150.9
[M+Na]+ 240.147118 154.1
[M-H]- 216.150624 154.6
[M+NH4]+ 235.191723 166.6
[M+K]+ 256.121058 150.3
[M+H-H2O]+ 200.155160 142.5
[M+HCOO]- 262.156101 170.6
[M+CH3COO]- 276.171751 193.0
[M+Na-2H]- 238.132566 154.4
[M]+ 217.15735142 142.5
[M]- 217.15844858 142.5
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.