CID 43187039

{1-[(3-chlorophenyl)methyl]piperidin-2-yl}methanamine

Structural Information

Molecular Formula
C13H19ClN2
SMILES
C1CCN(C(C1)CN)CC2=CC(=CC=C2)Cl
InChI
InChI=1S/C13H19ClN2/c14-12-5-3-4-11(8-12)10-16-7-2-1-6-13(16)9-15/h3-5,8,13H,1-2,6-7,9-10,15H2
InChIKey
VRXJFIYVRMSOSG-UHFFFAOYSA-N
Compound name
[1-[(3-chlorophenyl)methyl]piperidin-2-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.12367 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.13095 155.6
[M+Na]+ 261.11289 161.4
[M-H]- 237.11639 159.3
[M+NH4]+ 256.15749 172.1
[M+K]+ 277.08683 155.9
[M+H-H2O]+ 221.12093 148.1
[M+HCOO]- 283.12187 170.4
[M+CH3COO]- 297.13752 192.8
[M+Na-2H]- 259.09834 158.5
[M]+ 238.12312 151.7
[M]- 238.12422 151.7
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.