CID 29447

5-chloro-3-(1-methylpyrrolidin-2-yl)-1h-indole

Structural Information

Molecular Formula
C13H15ClN2
SMILES
CN1CCCC1C2=CNC3=C2C=C(C=C3)Cl
InChI
InChI=1S/C13H15ClN2/c1-16-6-2-3-13(16)11-8-15-12-5-4-9(14)7-10(11)12/h4-5,7-8,13,15H,2-3,6H2,1H3
InChIKey
KSVBDCVNOLOLNW-UHFFFAOYSA-N
Compound name
5-chloro-3-(1-methylpyrrolidin-2-yl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.09238 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.09966 153.4
[M+Na]+ 257.08160 163.8
[M-H]- 233.08510 157.5
[M+NH4]+ 252.12620 173.7
[M+K]+ 273.05554 157.3
[M+H-H2O]+ 217.08964 146.4
[M+HCOO]- 279.09058 169.2
[M+CH3COO]- 293.10623 165.9
[M+Na-2H]- 255.06705 154.9
[M]+ 234.09183 153.4
[M]- 234.09293 153.4
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