CID 169315

31529-46-1

Structural Information

Molecular Formula

C₉H₁₂N₂

SMILES

CC1CC2=CC=CC=C2N1N

InChI

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

InChIKey

YELHZVMLYJGTFN-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 133
Patents: 148.10005 Da
Monoisotopic Mass: 1.8
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]+	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

literature stripe

Patent stripe

patents stripe