CID 12798307

4-chloro-2-methyl-5,6,7,8-tetrahydroquinoline

Structural Information

Molecular Formula
C10H12ClN
SMILES
CC1=CC(=C2CCCCC2=N1)Cl
InChI
InChI=1S/C10H12ClN/c1-7-6-9(11)8-4-2-3-5-10(8)12-7/h6H,2-5H2,1H3
InChIKey
ZNFIALAGBYZRPS-UHFFFAOYSA-N
Compound name
4-chloro-2-methyl-5,6,7,8-tetrahydroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

181.06583 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.073106 136.1
[M+Na]+ 204.055048 145.2
[M-H]- 180.058554 138.9
[M+NH4]+ 199.099653 157.0
[M+K]+ 220.028988 140.7
[M+H-H2O]+ 164.063090 130.4
[M+HCOO]- 226.064031 151.4
[M+CH3COO]- 240.079681 149.3
[M+Na-2H]- 202.040496 143.1
[M]+ 181.06528142 135.5
[M]- 181.06637858 135.5
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