CID 16774626

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

Structural Information

Molecular Formula
C12H17ClN2
SMILES
CC1CCCN(C1)C2=C(C=C(C=C2)N)Cl
InChI
InChI=1S/C12H17ClN2/c1-9-3-2-6-15(8-9)12-5-4-10(14)7-11(12)13/h4-5,7,9H,2-3,6,8,14H2,1H3
InChIKey
GVZXCXVRHHROFD-UHFFFAOYSA-N
Compound name
3-chloro-4-(3-methylpiperidin-1-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.10803 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.11531 151.4
[M+Na]+ 247.09725 158.5
[M-H]- 223.10075 155.6
[M+NH4]+ 242.14185 168.8
[M+K]+ 263.07119 153.3
[M+H-H2O]+ 207.10529 144.4
[M+HCOO]- 269.10623 166.5
[M+CH3COO]- 283.12188 191.0
[M+Na-2H]- 245.08270 154.1
[M]+ 224.10748 147.5
[M]- 224.10858 147.5
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.