CID 81423276

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

Structural Information

Molecular Formula
C9H11N3O2
SMILES
C1CC2=NC(=NC=C2CC1C(=O)O)N
InChI
InChI=1S/C9H11N3O2/c10-9-11-4-6-3-5(8(13)14)1-2-7(6)12-9/h4-5H,1-3H2,(H,13,14)(H2,10,11,12)
InChIKey
RRIUEYSRNRECET-UHFFFAOYSA-N
Compound name
2-amino-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.08513 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.092406 140.4
[M+Na]+ 216.074348 147.8
[M-H]- 192.077854 140.4
[M+NH4]+ 211.118953 157.0
[M+K]+ 232.048288 144.8
[M+H-H2O]+ 176.082390 133.2
[M+HCOO]- 238.083331 157.9
[M+CH3COO]- 252.098981 183.1
[M+Na-2H]- 214.059796 146.3
[M]+ 193.08458142 136.1
[M]- 193.08567858 136.1
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.