CID 29454

7-methyl-3-(1-methylpyrrolidin-2-yl)-1h-indole

Structural Information

Molecular Formula
C14H18N2
SMILES
CC1=C2C(=CC=C1)C(=CN2)C3CCCN3C
InChI
InChI=1S/C14H18N2/c1-10-5-3-6-11-12(9-15-14(10)11)13-7-4-8-16(13)2/h3,5-6,9,13,15H,4,7-8H2,1-2H3
InChIKey
PALMSMPURBFZAO-UHFFFAOYSA-N
Compound name
7-methyl-3-(1-methylpyrrolidin-2-yl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

214.147 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.154276 149.4
[M+Na]+ 237.136218 158.8
[M-H]- 213.139724 153.8
[M+NH4]+ 232.180823 169.9
[M+K]+ 253.110158 153.7
[M+H-H2O]+ 197.144260 142.3
[M+HCOO]- 259.145201 169.8
[M+CH3COO]- 273.160851 162.2
[M+Na-2H]- 235.121666 151.3
[M]+ 214.14645142 148.0
[M]- 214.14754858 148.0
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