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]+ 194.09241 140.2
[M+Na]+ 216.07435 151.2
[M+NH4]+ 211.11895 147.4
[M+K]+ 232.04829 146.6
[M-H]- 192.07785 140.9
[M+Na-2H]- 214.05980 144.5
[M]+ 193.08458 141.6
[M]- 193.08568 141.6
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.