CID 58940

1-cyclopropylmethyl-2-skatylpiperidine

Structural Information

Molecular Formula
C18H24N2
SMILES
C1CCN(C(C1)CC2=CNC3=CC=CC=C32)CC4CC4
InChI
InChI=1S/C18H24N2/c1-2-7-18-17(6-1)15(12-19-18)11-16-5-3-4-10-20(16)13-14-8-9-14/h1-2,6-7,12,14,16,19H,3-5,8-11,13H2
InChIKey
VNXWGWDOMOQJEZ-UHFFFAOYSA-N
Compound name
3-[[1-(cyclopropylmethyl)piperidin-2-yl]methyl]-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.19394 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.201216 165.1
[M+Na]+ 291.183158 172.7
[M-H]- 267.186664 171.2
[M+NH4]+ 286.227763 175.9
[M+K]+ 307.157098 165.7
[M+H-H2O]+ 251.191200 156.0
[M+HCOO]- 313.192141 182.3
[M+CH3COO]- 327.207791 174.9
[M+Na-2H]- 289.168606 167.4
[M]+ 268.19339142 163.0
[M]- 268.19448858 163.0
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.