CID 20441614

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

Structural Information

Molecular Formula
C9H11ClN2
SMILES
CC1CCC2=NN=C(C=C2C1)Cl
InChI
InChI=1S/C9H11ClN2/c1-6-2-3-8-7(4-6)5-9(10)12-11-8/h5-6H,2-4H2,1H3
InChIKey
JUIICKYDIBJHSR-UHFFFAOYSA-N
Compound name
3-chloro-6-methyl-5,6,7,8-tetrahydrocinnoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

182.06108 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.06836 136.4
[M+Na]+ 205.05030 145.8
[M-H]- 181.05380 137.8
[M+NH4]+ 200.09490 155.8
[M+K]+ 221.02424 141.5
[M+H-H2O]+ 165.05834 129.6
[M+HCOO]- 227.05928 150.6
[M+CH3COO]- 241.07493 149.2
[M+Na-2H]- 203.03575 143.9
[M]+ 182.06053 135.8
[M]- 182.06163 135.8
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