CID 49760680

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

Structural Information

Molecular Formula
C13H20N2
SMILES
CC1=C(C=CC(=C1)N)C2CCN(CC2)C
InChI
InChI=1S/C13H20N2/c1-10-9-12(14)3-4-13(10)11-5-7-15(2)8-6-11/h3-4,9,11H,5-8,14H2,1-2H3
InChIKey
FEGVRHOYNJHKCB-UHFFFAOYSA-N
Compound name
3-methyl-4-(1-methylpiperidin-4-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

204.16264 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.169916 148.8
[M+Na]+ 227.151858 154.8
[M-H]- 203.155364 153.3
[M+NH4]+ 222.196463 166.2
[M+K]+ 243.125798 151.2
[M+H-H2O]+ 187.159900 141.1
[M+HCOO]- 249.160841 168.3
[M+CH3COO]- 263.176491 190.2
[M+Na-2H]- 225.137306 151.6
[M]+ 204.16209142 143.2
[M]- 204.16318858 143.2
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