CID 80503088

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

Structural Information

Molecular Formula
C9H10N2O2
SMILES
C1CC2=NC=NC=C2CC1C(=O)O
InChI
InChI=1S/C9H10N2O2/c12-9(13)6-1-2-8-7(3-6)4-10-5-11-8/h4-6H,1-3H2,(H,12,13)
InChIKey
HTKSVNDNSSNKPA-UHFFFAOYSA-N
Compound name
5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.07423 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.08151 136.2
[M+Na]+ 201.06345 143.4
[M-H]- 177.06695 136.3
[M+NH4]+ 196.10805 153.7
[M+K]+ 217.03739 140.9
[M+H-H2O]+ 161.07149 128.9
[M+HCOO]- 223.07243 153.2
[M+CH3COO]- 237.08808 177.4
[M+Na-2H]- 199.04890 143.4
[M]+ 178.07368 133.1
[M]- 178.07478 133.1
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.