CID 14819368

2-(2,3-dihydro-1h-inden-5-yl)acetonitrile

Structural Information

Molecular Formula

C₁₁H₁₁N

SMILES

C1CC2=C(C1)C=C(C=C2)CC#N

InChI

InChI=1S/C11H11N/c12-7-6-9-4-5-10-2-1-3-11(10)8-9/h4-5,8H,1-3,6H2

InChIKey

FZSXXUAESILITC-UHFFFAOYSA-N

Compound name

2-(2,3-dihydro-1H-inden-5-yl)acetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 64
Patents: 157.08914 Da
Monoisotopic Mass: 2.4
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]+	158.09642	136.8
[M+Na]+	180.07836	149.0
[M+NH4]+	175.12296	143.5
[M+K]+	196.05230	139.7
[M-H]-	156.08186	132.5
[M+Na-2H]-	178.06381	140.6
[M]+	157.08859	136.5
[M]-	157.08969	136.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe