CID 10149033

(2-methylquinolin-4-yl)methanol

Structural Information

Molecular Formula
C11H11NO
SMILES
CC1=NC2=CC=CC=C2C(=C1)CO
InChI
InChI=1S/C11H11NO/c1-8-6-9(7-13)10-4-2-3-5-11(10)12-8/h2-6,13H,7H2,1H3
InChIKey
MNDWQNXETQDJMZ-UHFFFAOYSA-N
Compound name
(2-methylquinolin-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

176
Patents

173.08406 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.091336 135.0
[M+Na]+ 196.073278 144.6
[M-H]- 172.076784 137.4
[M+NH4]+ 191.117883 154.9
[M+K]+ 212.047218 140.9
[M+H-H2O]+ 156.081320 128.8
[M+HCOO]- 218.082261 156.3
[M+CH3COO]- 232.097911 179.1
[M+Na-2H]- 194.058726 143.7
[M]+ 173.08351142 135.3
[M]- 173.08460858 135.3
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

patents stripe