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]+ 237.115306 154.8
[M+Na]+ 259.097248 161.3
[M-H]- 235.100754 157.1
[M+NH4]+ 254.141853 172.5
[M+K]+ 275.071188 155.0
[M+H-H2O]+ 219.105290 146.8
[M+HCOO]- 281.106231 165.5
[M+CH3COO]- 295.121881 165.1
[M+Na-2H]- 257.082696 156.9
[M]+ 236.10748142 149.2
[M]- 236.10857858 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

patents stripe