CID 71296258

7,7-dimethyl-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile

Structural Information

Molecular Formula
C12H14N2O
SMILES
CC1(CCC2=C(C1)NC(=O)C(=C2)C#N)C
InChI
InChI=1S/C12H14N2O/c1-12(2)4-3-8-5-9(7-13)11(15)14-10(8)6-12/h5H,3-4,6H2,1-2H3,(H,14,15)
InChIKey
KZAUZCBKNMGRDA-UHFFFAOYSA-N
Compound name
7,7-dimethyl-2-oxo-1,5,6,8-tetrahydroquinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.11061 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.11789 145.3
[M+Na]+ 225.09983 157.0
[M-H]- 201.10333 147.2
[M+NH4]+ 220.14443 164.0
[M+K]+ 241.07377 150.5
[M+H-H2O]+ 185.10787 133.3
[M+HCOO]- 247.10881 160.5
[M+CH3COO]- 261.12446 195.9
[M+Na-2H]- 223.08528 151.2
[M]+ 202.11006 138.3
[M]- 202.11116 138.3
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.