CID 71757190

(1-benzyl-4-ethylpiperidin-4-yl)methanamine

Structural Information

Molecular Formula
C15H24N2
SMILES
CCC1(CCN(CC1)CC2=CC=CC=C2)CN
InChI
InChI=1S/C15H24N2/c1-2-15(13-16)8-10-17(11-9-15)12-14-6-4-3-5-7-14/h3-7H,2,8-13,16H2,1H3
InChIKey
KOQROPHOWGHQBW-UHFFFAOYSA-N
Compound name
(1-benzyl-4-ethylpiperidin-4-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

232.19395 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.201226 157.3
[M+Na]+ 255.183168 161.5
[M-H]- 231.186674 161.0
[M+NH4]+ 250.227773 175.0
[M+K]+ 271.157108 157.7
[M+H-H2O]+ 215.191210 149.2
[M+HCOO]- 277.192151 176.2
[M+CH3COO]- 291.207801 193.5
[M+Na-2H]- 253.168616 161.5
[M]+ 232.19340142 151.9
[M]- 232.19449858 151.9
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