CID 14989933

2-amino-2,3-dihydro-1h-indene-2-carbonitrile

Structural Information

Molecular Formula

C₁₀H₁₀N₂

SMILES

C1C2=CC=CC=C2CC1(C#N)N

InChI

InChI=1S/C10H10N2/c11-7-10(12)5-8-3-1-2-4-9(8)6-10/h1-4H,5-6,12H2

InChIKey

NLFJADHOLXACJJ-UHFFFAOYSA-N

Compound name

2-amino-1,3-dihydroindene-2-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 158.0844 Da
Monoisotopic Mass: 0.9
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]+	159.09168	137.6
[M+Na]+	181.07362	149.0
[M-H]-	157.07712	141.5
[M+NH4]+	176.11822	160.4
[M+K]+	197.04756	142.8
[M+H-H2O]+	141.08166	126.1
[M+HCOO]-	203.08260	157.9
[M+CH3COO]-	217.09825	150.2
[M+Na-2H]-	179.05907	144.0
[M]+	158.08385	130.2
[M]-	158.08495	130.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe