CID 12662983

13669-51-7

Structural Information

Molecular Formula
C10H9NO
SMILES
C1=CC=C2C(=C1)C=C(C=N2)CO
InChI
InChI=1S/C10H9NO/c12-7-8-5-9-3-1-2-4-10(9)11-6-8/h1-6,12H,7H2
InChIKey
FLGKQMOTLCGOQH-UHFFFAOYSA-N
Compound name
quinolin-3-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

409
Patents

159.06842 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.07570 130.4
[M+Na]+ 182.05764 139.4
[M-H]- 158.06114 132.5
[M+NH4]+ 177.10224 150.5
[M+K]+ 198.03158 135.9
[M+H-H2O]+ 142.06568 124.1
[M+HCOO]- 204.06662 152.0
[M+CH3COO]- 218.08227 144.0
[M+Na-2H]- 180.04309 140.4
[M]+ 159.06787 129.9
[M]- 159.06897 129.9
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