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

9
Patents

181.06583 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.07311 136.1
[M+Na]+ 204.05505 145.2
[M-H]- 180.05855 138.9
[M+NH4]+ 199.09965 157.0
[M+K]+ 220.02899 140.7
[M+H-H2O]+ 164.06309 130.4
[M+HCOO]- 226.06403 151.4
[M+CH3COO]- 240.07968 149.3
[M+Na-2H]- 202.04050 143.1
[M]+ 181.06528 135.5
[M]- 181.06638 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