CID 58448136

1227418-23-6

Structural Information

Molecular Formula

C₁₁H₁₃N

SMILES

C1CC1C2=C3CCNC3=CC=C2

InChI

InChI=1S/C11H13N/c1-2-9(8-4-5-8)10-6-7-12-11(10)3-1/h1-3,8,12H,4-7H2

InChIKey

TXIBMTPLWKDOCV-UHFFFAOYSA-N

Compound name

4-cyclopropyl-2,3-dihydro-1H-indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 159.1048 Da
Monoisotopic Mass: 2.9
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]+	160.112076	133.6
[M+Na]+	182.094018	143.1
[M-H]-	158.097524	139.1
[M+NH4]+	177.138623	150.4
[M+K]+	198.067958	138.4
[M+H-H2O]+	142.102060	127.0
[M+HCOO]-	204.103001	154.3
[M+CH3COO]-	218.118651	146.5
[M+Na-2H]-	180.079466	139.5
[M]+	159.10425142	132.4
[M]-	159.10534858	132.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe