CID 70700329

2-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid

Structural Information

Molecular Formula
C10H12N2O2
SMILES
CC1=NC=C2CC(CCC2=N1)C(=O)O
InChI
InChI=1S/C10H12N2O2/c1-6-11-5-8-4-7(10(13)14)2-3-9(8)12-6/h5,7H,2-4H2,1H3,(H,13,14)
InChIKey
BBFOISKFAREOEF-UHFFFAOYSA-N
Compound name
2-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.08987 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.09715 141.1
[M+Na]+ 215.07909 153.6
[M+NH4]+ 210.12369 148.9
[M+K]+ 231.05303 148.0
[M-H]- 191.08259 141.8
[M+Na-2H]- 213.06454 146.0
[M]+ 192.08932 142.9
[M]- 192.09042 142.9
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

No patent data available for this compound.