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]+ 219.112806 153.9
[M+Na]+ 241.094748 162.7
[M-H]- 217.098254 157.7
[M+NH4]+ 236.139353 165.1
[M+K]+ 257.068688 158.0
[M+H-H2O]+ 201.102790 145.8
[M+HCOO]- 263.103731 170.5
[M+CH3COO]- 277.119381 164.6
[M+Na-2H]- 239.080196 158.4
[M]+ 218.10498142 153.3
[M]- 218.10607858 153.3
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.