CID 22156565

3-(1,4,5,6-tetrahydropyrimidin-2-yl)propanoic acid

Structural Information

Molecular Formula
C7H12N2O2
SMILES
C1CNC(=NC1)CCC(=O)O
InChI
InChI=1S/C7H12N2O2/c10-7(11)3-2-6-8-4-1-5-9-6/h1-5H2,(H,8,9)(H,10,11)
InChIKey
GTUZLDBHHIBAQG-UHFFFAOYSA-N
Compound name
3-(1,4,5,6-tetrahydropyrimidin-2-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

156.08987 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.09715 134.3
[M+Na]+ 179.07909 143.9
[M+NH4]+ 174.12369 140.7
[M+K]+ 195.05303 139.5
[M-H]- 155.08259 133.0
[M+Na-2H]- 177.06454 138.1
[M]+ 156.08932 134.8
[M]- 156.09042 134.8
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

patents stripe