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

533
Patents

146.04802 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.055296 126.2
[M+Na]+ 169.037238 136.2
[M-H]- 145.040744 127.2
[M+NH4]+ 164.081843 145.5
[M+K]+ 185.011178 132.9
[M+H-H2O]+ 129.045280 119.3
[M+HCOO]- 191.046221 147.2
[M+CH3COO]- 205.061871 139.9
[M+Na-2H]- 167.022686 137.3
[M]+ 146.04747142 125.6
[M]- 146.04856858 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