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]+ 222.068026 145.5
[M+Na]+ 244.049968 156.3
[M-H]- 220.053474 147.7
[M+NH4]+ 239.094573 164.6
[M+K]+ 260.023908 150.6
[M+H-H2O]+ 204.058010 139.9
[M+HCOO]- 266.058951 161.8
[M+CH3COO]- 280.074601 187.0
[M+Na-2H]- 242.035416 152.4
[M]+ 221.06020142 148.6
[M]- 221.06129858 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.