CID 54593772

1-benzyl-5-methylpiperidin-3-amine

Structural Information

Molecular Formula
C13H20N2
SMILES
CC1CC(CN(C1)CC2=CC=CC=C2)N
InChI
InChI=1S/C13H20N2/c1-11-7-13(14)10-15(8-11)9-12-5-3-2-4-6-12/h2-6,11,13H,7-10,14H2,1H3
InChIKey
ZIGFEJOVAYQSSS-UHFFFAOYSA-N
Compound name
1-benzyl-5-methylpiperidin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

204.16264 Da
Monoisotopic Mass

1.8
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

No literature data available for this compound.

Patent stripe

patents stripe