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]+ 193.097146 140.8
[M+Na]+ 215.079088 148.6
[M-H]- 191.082594 141.2
[M+NH4]+ 210.123693 158.1
[M+K]+ 231.053028 145.8
[M+H-H2O]+ 175.087130 133.7
[M+HCOO]- 237.088071 157.5
[M+CH3COO]- 251.103721 181.6
[M+Na-2H]- 213.064536 146.7
[M]+ 192.08932142 138.5
[M]- 192.09041858 138.5
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.