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

34
Patents

234.11569 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.12297 172.0
[M+Na]+ 257.10491 183.4
[M-H]- 233.10841 176.0
[M+NH4]+ 252.14951 184.8
[M+K]+ 273.07885 176.5
[M+H-H2O]+ 217.11295 157.3
[M+HCOO]- 279.11389 182.6
[M+CH3COO]- 293.12954 223.2
[M+Na-2H]- 255.09036 173.8
[M]+ 234.11514 164.6
[M]- 234.11624 164.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.