CID 85999297

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

Structural Information

Molecular Formula
C10H12ClN
SMILES
CC1=CC(=NC2=C1CCCC2)Cl
InChI
InChI=1S/C10H12ClN/c1-7-6-10(11)12-9-5-3-2-4-8(7)9/h6H,2-5H2,1H3
InChIKey
DGRWNVQDLPBFTD-UHFFFAOYSA-N
Compound name
2-chloro-4-methyl-5,6,7,8-tetrahydroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

181.06583 Da
Monoisotopic Mass

3.4
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

literature stripe

Patent stripe

patents stripe