CID 69271999

6-chloro-1-(piperidin-4-yl)-2,3-dihydro-1h-indole hydrochloride

Structural Information

Molecular Formula
C13H17ClN2
SMILES
C1CNCCC1N2CCC3=C2C=C(C=C3)Cl
InChI
InChI=1S/C13H17ClN2/c14-11-2-1-10-5-8-16(13(10)9-11)12-3-6-15-7-4-12/h1-2,9,12,15H,3-8H2
InChIKey
DIZUNPSRBVWZCX-UHFFFAOYSA-N
Compound name
6-chloro-1-piperidin-4-yl-2,3-dihydroindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

236.10803 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.11531 154.8
[M+Na]+ 259.09725 161.3
[M-H]- 235.10075 157.1
[M+NH4]+ 254.14185 172.5
[M+K]+ 275.07119 155.0
[M+H-H2O]+ 219.10529 146.8
[M+HCOO]- 281.10623 165.5
[M+CH3COO]- 295.12188 165.1
[M+Na-2H]- 257.08270 156.9
[M]+ 236.10748 149.2
[M]- 236.10858 149.2
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

No patent data available for this compound.