CID 80503086

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

Structural Information

Molecular Formula
C12H14N2O2
SMILES
C1CC1C2=NC=C3CC(CCC3=N2)C(=O)O
InChI
InChI=1S/C12H14N2O2/c15-12(16)8-3-4-10-9(5-8)6-13-11(14-10)7-1-2-7/h6-8H,1-5H2,(H,15,16)
InChIKey
SPRNTFAESUUJJW-UHFFFAOYSA-N
Compound name
2-cyclopropyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.10553 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.11281 150.9
[M+Na]+ 241.09475 164.6
[M+NH4]+ 236.13935 159.4
[M+K]+ 257.06869 160.0
[M-H]- 217.09825 159.8
[M+Na-2H]- 239.08020 158.8
[M]+ 218.10498 156.4
[M]- 218.10608 156.4
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.