CID 19006950

Quinazoline-2-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C9H6N2O2
SMILES
C1=CC=C2C(=C1)C=NC(=N2)C(=O)O
InChI
InChI=1S/C9H6N2O2/c12-9(13)8-10-5-6-3-1-2-4-7(6)11-8/h1-5H,(H,12,13)
InChIKey
OKXPYKHKJCATPX-UHFFFAOYSA-N
Compound name
quinazoline-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

370
Patents

174.04292 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.05020 133.0
[M+Na]+ 197.03214 142.4
[M-H]- 173.03564 133.9
[M+NH4]+ 192.07674 150.9
[M+K]+ 213.00608 139.4
[M+H-H2O]+ 157.04018 125.9
[M+HCOO]- 219.04112 153.0
[M+CH3COO]- 233.05677 176.8
[M+Na-2H]- 195.01759 142.3
[M]+ 174.04237 132.8
[M]- 174.04347 132.8
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