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]+ 218.16518 150.9
[M+Na]+ 240.14712 154.1
[M-H]- 216.15062 154.6
[M+NH4]+ 235.19172 166.6
[M+K]+ 256.12106 150.3
[M+H-H2O]+ 200.15516 142.5
[M+HCOO]- 262.15610 170.6
[M+CH3COO]- 276.17175 193.0
[M+Na-2H]- 238.13257 154.4
[M]+ 217.15735 142.5
[M]- 217.15845 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.