CID 12351931

61417-99-0

Structural Information

Molecular Formula
C12H14N2
SMILES
CC1=CC2=C(C(CCC2)(C)C#N)N=C1
InChI
InChI=1S/C12H14N2/c1-9-6-10-4-3-5-12(2,8-13)11(10)14-7-9/h6-7H,3-5H2,1-2H3
InChIKey
RAQHNEYZSLCTLR-UHFFFAOYSA-N
Compound name
3,8-dimethyl-6,7-dihydro-5H-quinoline-8-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

186.11569 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.122966 141.1
[M+Na]+ 209.104908 152.2
[M-H]- 185.108414 143.8
[M+NH4]+ 204.149513 160.8
[M+K]+ 225.078848 146.3
[M+H-H2O]+ 169.112950 128.6
[M+HCOO]- 231.113891 157.3
[M+CH3COO]- 245.129541 152.8
[M+Na-2H]- 207.090356 148.1
[M]+ 186.11514142 134.7
[M]- 186.11623858 134.7
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

patents stripe