CID 613000

32703-82-5

Structural Information

Molecular Formula

C₁₆H₁₄N₂

SMILES

CC(C)(C)C1=CC2=CC(=C(C=C2C=C1)C#N)C#N

InChI

InChI=1S/C16H14N2/c1-16(2,3)15-5-4-11-6-13(9-17)14(10-18)7-12(11)8-15/h4-8H,1-3H3

InChIKey

MKILROQBJOOZKC-UHFFFAOYSA-N

Compound name

6-tert-butylnaphthalene-2,3-dicarbonitrile

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 30
Patents: 234.11569 Da
Monoisotopic Mass: 4.3
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]+	235.12297	178.9
[M+Na]+	257.10491	188.8
[M+NH4]+	252.14951	180.2
[M+K]+	273.07885	177.1
[M-H]-	233.10841	169.8
[M+Na-2H]-	255.09036	178.6
[M]+	234.11514	176.7
[M]-	234.11624	176.7

Literature stripe

literature stripe

Patent stripe

patents stripe