CID 165692180

2743442-65-9

Structural Information

Molecular Formula
C11H12ClNO2
SMILES
COC(=O)C1CCCC2=C(C=CN=C12)Cl
InChI
InChI=1S/C11H12ClNO2/c1-15-11(14)8-4-2-3-7-9(12)5-6-13-10(7)8/h5-6,8H,2-4H2,1H3
InChIKey
KPQFPNMVNZSSQK-UHFFFAOYSA-N
Compound name
methyl 4-chloro-5,6,7,8-tetrahydroquinoline-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.05565 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.06293 145.6
[M+Na]+ 248.04487 154.2
[M-H]- 224.04837 148.4
[M+NH4]+ 243.08947 164.6
[M+K]+ 264.01881 150.5
[M+H-H2O]+ 208.05291 139.6
[M+HCOO]- 270.05385 160.3
[M+CH3COO]- 284.06950 187.6
[M+Na-2H]- 246.03032 151.0
[M]+ 225.05510 146.9
[M]- 225.05620 146.9
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.