CID 22330145

3-(1-methylpiperidin-4-yl)aniline

Structural Information

Molecular Formula
C12H18N2
SMILES
CN1CCC(CC1)C2=CC(=CC=C2)N
InChI
InChI=1S/C12H18N2/c1-14-7-5-10(6-8-14)11-3-2-4-12(13)9-11/h2-4,9-10H,5-8,13H2,1H3
InChIKey
BZPUKNPOZJNJLZ-UHFFFAOYSA-N
Compound name
3-(1-methylpiperidin-4-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

190.147 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.154276 144.1
[M+Na]+ 213.136218 149.6
[M-H]- 189.139724 148.4
[M+NH4]+ 208.180823 161.8
[M+K]+ 229.110158 146.2
[M+H-H2O]+ 173.144260 136.3
[M+HCOO]- 235.145201 164.0
[M+CH3COO]- 249.160851 186.0
[M+Na-2H]- 211.121666 148.2
[M]+ 190.14645142 137.8
[M]- 190.14754858 137.8
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