CID 78358440

(4-methylquinazolin-2-yl)methanol

Structural Information

Molecular Formula
C10H10N2O
SMILES
CC1=NC(=NC2=CC=CC=C12)CO
InChI
InChI=1S/C10H10N2O/c1-7-8-4-2-3-5-9(8)12-10(6-13)11-7/h2-5,13H,6H2,1H3
InChIKey
PWDGWOCNQJCENI-UHFFFAOYSA-N
Compound name
(4-methylquinazolin-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

174.07932 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.08660 135.7
[M+Na]+ 197.06854 145.7
[M-H]- 173.07204 136.7
[M+NH4]+ 192.11314 154.2
[M+K]+ 213.04248 142.0
[M+H-H2O]+ 157.07658 128.7
[M+HCOO]- 219.07752 156.0
[M+CH3COO]- 233.09317 148.9
[M+Na-2H]- 195.05399 144.9
[M]+ 174.07877 136.2
[M]- 174.07987 136.2
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