CID 10131112

1h-indole, 5-chloro-2-methyl-3-(1,2,3,6-tetrahydro-4-pyridinyl)-, hydrochloride (1:1)

Structural Information

Molecular Formula
C14H15ClN2
SMILES
CC1=C(C2=C(N1)C=CC(=C2)Cl)C3=CCNCC3
InChI
InChI=1S/C14H15ClN2/c1-9-14(10-4-6-16-7-5-10)12-8-11(15)2-3-13(12)17-9/h2-4,8,16-17H,5-7H2,1H3
InChIKey
BPPGPYJBCVXILI-UHFFFAOYSA-N
Compound name
5-chloro-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

29
References

30
Patents

246.09238 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.09966 155.1
[M+Na]+ 269.08160 164.9
[M-H]- 245.08510 157.5
[M+NH4]+ 264.12620 172.4
[M+K]+ 285.05554 156.8
[M+H-H2O]+ 229.08964 147.9
[M+HCOO]- 291.09058 168.3
[M+CH3COO]- 305.10623 166.5
[M+Na-2H]- 267.06705 158.7
[M]+ 246.09183 152.9
[M]- 246.09293 152.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe