CID 3159023

4-[(2-methylpiperidin-1-yl)methyl]aniline

Structural Information

Molecular Formula
C13H20N2
SMILES
CC1CCCCN1CC2=CC=C(C=C2)N
InChI
InChI=1S/C13H20N2/c1-11-4-2-3-9-15(11)10-12-5-7-13(14)8-6-12/h5-8,11H,2-4,9-10,14H2,1H3
InChIKey
AJNSSUGFLMSCJD-UHFFFAOYSA-N
Compound name
4-[(2-methylpiperidin-1-yl)methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1
Patents

204.16264 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.16992 148.9
[M+Na]+ 227.15186 161.3
[M+NH4]+ 222.19646 158.1
[M+K]+ 243.12580 153.6
[M-H]- 203.15536 153.9
[M+Na-2H]- 225.13731 156.6
[M]+ 204.16209 152.0
[M]- 204.16319 152.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe