CID 53416109

1260878-45-2

Structural Information

Molecular Formula
C13H14N2
SMILES
CC1=CC(NC2=C1C=C(C=C2)C#N)(C)C
InChI
InChI=1S/C13H14N2/c1-9-7-13(2,3)15-12-5-4-10(8-14)6-11(9)12/h4-7,15H,1-3H3
InChIKey
YRIRVXNSXNHPAB-UHFFFAOYSA-N
Compound name
2,2,4-trimethyl-1H-quinoline-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.11569 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.122966 146.1
[M+Na]+ 221.104908 158.1
[M-H]- 197.108414 148.0
[M+NH4]+ 216.149513 165.1
[M+K]+ 237.078848 151.3
[M+H-H2O]+ 181.112950 134.0
[M+HCOO]- 243.113891 161.9
[M+CH3COO]- 257.129541 157.5
[M+Na-2H]- 219.090356 152.3
[M]+ 198.11514142 139.9
[M]- 198.11623858 139.9
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.