CID 1547137

84803-57-6

Structural Information

Molecular Formula
C14H19N
SMILES
CC1=CC(=CC(=C1CC#N)C)C(C)(C)C
InChI
InChI=1S/C14H19N/c1-10-8-12(14(3,4)5)9-11(2)13(10)6-7-15/h8-9H,6H2,1-5H3
InChIKey
ZUXNULGHCOXCFL-UHFFFAOYSA-N
Compound name
2-(4-tert-butyl-2,6-dimethylphenyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

568
Patents

201.15175 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.15903 146.5
[M+Na]+ 224.14097 159.3
[M+NH4]+ 219.18557 151.8
[M+K]+ 240.11491 149.4
[M-H]- 200.14447 141.7
[M+Na-2H]- 222.12642 150.6
[M]+ 201.15120 146.3
[M]- 201.15230 146.3
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