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]+	160.11208	133.6
[M+Na]+	182.09402	143.1
[M-H]-	158.09752	139.1
[M+NH4]+	177.13862	150.4
[M+K]+	198.06796	138.4
[M+H-H2O]+	142.10206	127.0
[M+HCOO]-	204.10300	154.3
[M+CH3COO]-	218.11865	146.5
[M+Na-2H]-	180.07947	139.5
[M]+	159.10425	132.4
[M]-	159.10535	132.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe