CID 63087843

[3-chloro-4-(3-methylpiperidin-1-yl)phenyl]methanamine

Structural Information

Molecular Formula
C13H19ClN2
SMILES
CC1CCCN(C1)C2=C(C=C(C=C2)CN)Cl
InChI
InChI=1S/C13H19ClN2/c1-10-3-2-6-16(9-10)13-5-4-11(8-15)7-12(13)14/h4-5,7,10H,2-3,6,8-9,15H2,1H3
InChIKey
NKYVEBZXFQSYFG-UHFFFAOYSA-N
Compound name
[3-chloro-4-(3-methylpiperidin-1-yl)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.12367 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.130946 155.9
[M+Na]+ 261.112888 162.6
[M-H]- 237.116394 160.0
[M+NH4]+ 256.157493 172.8
[M+K]+ 277.086828 157.2
[M+H-H2O]+ 221.120930 148.7
[M+HCOO]- 283.121871 170.7
[M+CH3COO]- 297.137521 194.0
[M+Na-2H]- 259.098336 158.1
[M]+ 238.12312142 152.3
[M]- 238.12421858 152.3
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.