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]+ 199.12297 146.1
[M+Na]+ 221.10491 158.1
[M-H]- 197.10841 148.0
[M+NH4]+ 216.14951 165.1
[M+K]+ 237.07885 151.3
[M+H-H2O]+ 181.11295 134.0
[M+HCOO]- 243.11389 161.9
[M+CH3COO]- 257.12954 157.5
[M+Na-2H]- 219.09036 152.3
[M]+ 198.11514 139.9
[M]- 198.11624 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.