CID 105442992

2253640-72-9

Structural Information

Molecular Formula
C10H8N2O2
SMILES
CC1=CC2=C(C=C1)N=CN=C2C(=O)O
InChI
InChI=1S/C10H8N2O2/c1-6-2-3-8-7(4-6)9(10(13)14)12-5-11-8/h2-5H,1H3,(H,13,14)
InChIKey
SHWGIJACTBDDEF-UHFFFAOYSA-N
Compound name
6-methylquinazoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

188.05858 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.065856 137.7
[M+Na]+ 211.047798 147.6
[M-H]- 187.051304 138.8
[M+NH4]+ 206.092403 155.3
[M+K]+ 227.021738 144.3
[M+H-H2O]+ 171.055840 130.6
[M+HCOO]- 233.056781 157.3
[M+CH3COO]- 247.072431 180.9
[M+Na-2H]- 209.033246 145.7
[M]+ 188.05803142 138.3
[M]- 188.05912858 138.3
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