CID 12351931

61417-99-0

Structural Information

Molecular Formula

C₁₂H₁₄N₂

SMILES

CC1=CC2=C(C(CCC2)(C)C#N)N=C1

InChI

InChI=1S/C12H14N2/c1-9-6-10-4-3-5-12(2,8-13)11(10)14-7-9/h6-7H,3-5H2,1-2H3

InChIKey

RAQHNEYZSLCTLR-UHFFFAOYSA-N

Compound name

3,8-dimethyl-6,7-dihydro-5H-quinoline-8-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 186.11569 Da
Monoisotopic Mass: 2.2
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]+	187.12297	141.1
[M+Na]+	209.10491	152.2
[M-H]-	185.10841	143.8
[M+NH4]+	204.14951	160.8
[M+K]+	225.07885	146.3
[M+H-H2O]+	169.11295	128.6
[M+HCOO]-	231.11389	157.3
[M+CH3COO]-	245.12954	152.8
[M+Na-2H]-	207.09036	148.1
[M]+	186.11514	134.7
[M]-	186.11624	134.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe