CID 217333

38591-36-5

Structural Information

Molecular Formula
C14H21ClN2
SMILES
CC(CN)C1=CC(=C(C=C1)N2CCCCC2)Cl
InChI
InChI=1S/C14H21ClN2/c1-11(10-16)12-5-6-14(13(15)9-12)17-7-3-2-4-8-17/h5-6,9,11H,2-4,7-8,10,16H2,1H3
InChIKey
CMFCRWXWHKGUDW-UHFFFAOYSA-N
Compound name
2-(3-chloro-4-piperidin-1-ylphenyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

252.13933 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.14661 160.2
[M+Na]+ 275.12855 165.3
[M-H]- 251.13205 163.8
[M+NH4]+ 270.17315 176.1
[M+K]+ 291.10249 160.0
[M+H-H2O]+ 235.13659 152.7
[M+HCOO]- 297.13753 173.7
[M+CH3COO]- 311.15318 196.7
[M+Na-2H]- 273.11400 161.4
[M]+ 252.13878 156.0
[M]- 252.13988 156.0
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

patents stripe