CID 64401517

3-chloro-6,6-dimethyl-5,6,7,8-tetrahydrocinnoline

Structural Information

Molecular Formula
C10H13ClN2
SMILES
CC1(CCC2=NN=C(C=C2C1)Cl)C
InChI
InChI=1S/C10H13ClN2/c1-10(2)4-3-8-7(6-10)5-9(11)13-12-8/h5H,3-4,6H2,1-2H3
InChIKey
GHAMKOFUKOVONK-UHFFFAOYSA-N
Compound name
3-chloro-6,6-dimethyl-7,8-dihydro-5H-cinnoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.07672 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.08400 140.1
[M+Na]+ 219.06594 150.1
[M-H]- 195.06944 141.8
[M+NH4]+ 214.11054 161.1
[M+K]+ 235.03988 145.8
[M+H-H2O]+ 179.07398 133.6
[M+HCOO]- 241.07492 154.1
[M+CH3COO]- 255.09057 152.9
[M+Na-2H]- 217.05139 148.1
[M]+ 196.07617 140.2
[M]- 196.07727 140.2
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.