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 148.6
[M+Na]+ 227.15186 153.7
[M-H]- 203.15536 152.7
[M+NH4]+ 222.19646 165.7
[M+K]+ 243.12580 150.0
[M+H-H2O]+ 187.15990 140.6
[M+HCOO]- 249.16084 168.1
[M+CH3COO]- 263.17649 189.1
[M+Na-2H]- 225.13731 152.2
[M]+ 204.16209 142.6
[M]- 204.16319 142.6
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