CID 57099316

(quinazolin-2-yl)methanol

Structural Information

Molecular Formula
C9H8N2O
SMILES
C1=CC=C2C(=C1)C=NC(=N2)CO
InChI
InChI=1S/C9H8N2O/c12-6-9-10-5-7-3-1-2-4-8(7)11-9/h1-5,12H,6H2
InChIKey
YTNBLSVLSJYVLB-UHFFFAOYSA-N
Compound name
quinazolin-2-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

160.06366 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.070936 130.9
[M+Na]+ 183.052878 140.4
[M-H]- 159.056384 131.6
[M+NH4]+ 178.097483 149.5
[M+K]+ 199.026818 136.9
[M+H-H2O]+ 143.060920 123.8
[M+HCOO]- 205.061861 151.5
[M+CH3COO]- 219.077511 144.1
[M+Na-2H]- 181.038326 141.4
[M]+ 160.06311142 130.6
[M]- 160.06420858 130.6
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