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 140.4
[M+Na]+ 216.07435 147.8
[M-H]- 192.07785 140.4
[M+NH4]+ 211.11895 157.0
[M+K]+ 232.04829 144.8
[M+H-H2O]+ 176.08239 133.2
[M+HCOO]- 238.08333 157.9
[M+CH3COO]- 252.09898 183.1
[M+Na-2H]- 214.05980 146.3
[M]+ 193.08458 136.1
[M]- 193.08568 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.