CID 22637122

64180-07-0

Structural Information

Molecular Formula

C₉H₁₂N₂

SMILES

CN1CCC2=C1C=CC(=C2)N

InChI

InChI=1S/C9H12N2/c1-11-5-4-7-6-8(10)2-3-9(7)11/h2-3,6H,4-5,10H2,1H3

InChIKey

JYSFDZGGGCGZGO-UHFFFAOYSA-N

Compound name

1-methyl-2,3-dihydroindol-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 126
Patents: 148.10005 Da
Monoisotopic Mass: 1.4
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]+	149.107326	129.9
[M+Na]+	171.089268	138.8
[M-H]-	147.092774	133.0
[M+NH4]+	166.133873	152.7
[M+K]+	187.063208	135.9
[M+H-H2O]+	131.097310	123.9
[M+HCOO]-	193.098251	152.9
[M+CH3COO]-	207.113901	143.9
[M+Na-2H]-	169.074716	135.8
[M]+	148.09950142	127.5
[M]-	148.10059858	127.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe