CID 3067928

1-methyl-4-(3-piperidyl)-1h-indole hydrochloride

Structural Information

Molecular Formula
C14H18N2
SMILES
CN1C=CC2=C(C=CC=C21)C3CCCNC3
InChI
InChI=1S/C14H18N2/c1-16-9-7-13-12(5-2-6-14(13)16)11-4-3-8-15-10-11/h2,5-7,9,11,15H,3-4,8,10H2,1H3
InChIKey
WHZJBEMBTDOZNO-UHFFFAOYSA-N
Compound name
1-methyl-4-piperidin-3-ylindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

214.147 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.15428 149.0
[M+Na]+ 237.13622 156.5
[M-H]- 213.13972 152.3
[M+NH4]+ 232.18082 167.1
[M+K]+ 253.11016 151.1
[M+H-H2O]+ 197.14426 140.8
[M+HCOO]- 259.14520 167.0
[M+CH3COO]- 273.16085 160.6
[M+Na-2H]- 235.12167 153.3
[M]+ 214.14645 144.7
[M]- 214.14755 144.7
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