CID 21036983

530116-03-1

Structural Information

Molecular Formula
C16H24N2
SMILES
C1CC1C2(CCN(CC2)CC3=CC=CC=C3)CN
InChI
InChI=1S/C16H24N2/c17-13-16(15-6-7-15)8-10-18(11-9-16)12-14-4-2-1-3-5-14/h1-5,15H,6-13,17H2
InChIKey
WISVVOCMQVKZNZ-UHFFFAOYSA-N
Compound name
(1-benzyl-4-cyclopropylpiperidin-4-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

244.19395 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.201226 158.5
[M+Na]+ 267.183168 164.2
[M-H]- 243.186674 165.9
[M+NH4]+ 262.227773 170.8
[M+K]+ 283.157108 160.5
[M+H-H2O]+ 227.191210 150.3
[M+HCOO]- 289.192151 177.7
[M+CH3COO]- 303.207801 168.7
[M+Na-2H]- 265.168616 162.7
[M]+ 244.19340142 154.9
[M]- 244.19449858 154.9
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