CID 29453

19137-69-0

Structural Information

Molecular Formula

C₁₄H₁₈N₂

SMILES

CC1=CC2=C(C=C1)NC=C2C3CCCN3C

InChI

InChI=1S/C14H18N2/c1-10-5-6-13-11(8-10)12(9-15-13)14-4-3-7-16(14)2/h5-6,8-9,14-15H,3-4,7H2,1-2H3

InChIKey

SMMNJQNEWMPPDF-UHFFFAOYSA-N

Compound name

5-methyl-3-(1-methylpyrrolidin-2-yl)-1H-indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 214.147 Da
Monoisotopic Mass: 2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe