CID 29465

19137-94-1

Structural Information

Molecular Formula

C₁₄H₁₈N₂O

SMILES

CN1CCCC1C2=CNC3=C2C=C(C=C3)OC

InChI

InChI=1S/C14H18N2O/c1-16-7-3-4-14(16)12-9-15-13-6-5-10(17-2)8-11(12)13/h5-6,8-9,14-15H,3-4,7H2,1-2H3

InChIKey

NNCOKSDPKDOAOW-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 230.1419 Da
Monoisotopic Mass: 2.4
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]+	231.14918	152.6
[M+Na]+	253.13112	161.7
[M-H]-	229.13462	156.9
[M+NH4]+	248.17572	172.2
[M+K]+	269.10506	157.2
[M+H-H2O]+	213.13916	145.3
[M+HCOO]-	275.14010	173.1
[M+CH3COO]-	289.15575	165.1
[M+Na-2H]-	251.11657	154.4
[M]+	230.14135	152.5
[M]-	230.14245	152.5

Literature stripe

literature stripe

Patent stripe

patents stripe