CID 84783

15085-20-8

Structural Information

Molecular Formula

C₁₁H₁₁N

SMILES

CC1=C2CCCC2=C(C=C1)C#N

InChI

InChI=1S/C11H11N/c1-8-5-6-9(7-12)11-4-2-3-10(8)11/h5-6H,2-4H2,1H3

InChIKey

DGRBGVCXMGQYPE-UHFFFAOYSA-N

Compound name

7-methyl-2,3-dihydro-1H-indene-4-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 157.08914 Da
Monoisotopic Mass: 2.8
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]+	158.09642	135.5
[M+Na]+	180.07836	147.1
[M-H]-	156.08186	139.8
[M+NH4]+	175.12296	157.4
[M+K]+	196.05230	141.4
[M+H-H2O]+	140.08640	124.0
[M+HCOO]-	202.08734	155.2
[M+CH3COO]-	216.10299	148.5
[M+Na-2H]-	178.06381	140.6
[M]+	157.08859	130.1
[M]-	157.08969	130.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe