CID 930708

(2-chloroquinolin-3-yl)methanol

Structural Information

Molecular Formula
C10H8ClNO
SMILES
C1=CC=C2C(=C1)C=C(C(=N2)Cl)CO
InChI
InChI=1S/C10H8ClNO/c11-10-8(6-13)5-7-3-1-2-4-9(7)12-10/h1-5,13H,6H2
InChIKey
XLSKEUSDSZNPLA-UHFFFAOYSA-N
Compound name
(2-chloroquinolin-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

146
Patents

193.02943 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.03671 136.1
[M+Na]+ 216.01865 146.8
[M-H]- 192.02215 138.3
[M+NH4]+ 211.06325 156.0
[M+K]+ 231.99259 141.6
[M+H-H2O]+ 176.02669 130.7
[M+HCOO]- 238.02763 153.1
[M+CH3COO]- 252.04328 149.7
[M+Na-2H]- 214.00410 144.8
[M]+ 193.02888 138.1
[M]- 193.02998 138.1
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