CID 135703333

7-quinazolinol

Structural Information

Molecular Formula
C8H6N2O
SMILES
C1=CC2=CN=CN=C2C=C1O
InChI
InChI=1S/C8H6N2O/c11-7-2-1-6-4-9-5-10-8(6)3-7/h1-5,11H
InChIKey
BWDCBBZUYJDNJZ-UHFFFAOYSA-N
Compound name
quinazolin-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

451
Patents

146.04802 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.05530 126.2
[M+Na]+ 169.03724 136.2
[M-H]- 145.04074 127.2
[M+NH4]+ 164.08184 145.5
[M+K]+ 185.01118 132.9
[M+H-H2O]+ 129.04528 119.3
[M+HCOO]- 191.04622 147.2
[M+CH3COO]- 205.06187 139.9
[M+Na-2H]- 167.02269 137.3
[M]+ 146.04747 125.6
[M]- 146.04857 125.6
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