CID 24276142

1017429-39-8

Structural Information

Molecular Formula
C12H12ClNO
SMILES
CCC1=CC=CC2=CC(=C(N=C21)Cl)CO
InChI
InChI=1S/C12H12ClNO/c1-2-8-4-3-5-9-6-10(7-15)12(13)14-11(8)9/h3-6,15H,2,7H2,1H3
InChIKey
QRABYCMGNNSUCD-UHFFFAOYSA-N
Compound name
(2-chloro-8-ethylquinolin-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.06075 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.06803 145.5
[M+Na]+ 244.04997 156.3
[M-H]- 220.05347 147.7
[M+NH4]+ 239.09457 164.6
[M+K]+ 260.02391 150.6
[M+H-H2O]+ 204.05801 139.9
[M+HCOO]- 266.05895 161.8
[M+CH3COO]- 280.07460 187.0
[M+Na-2H]- 242.03542 152.4
[M]+ 221.06020 148.6
[M]- 221.06130 148.6
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.