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

31
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

literature stripe

Patent stripe

patents stripe