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

13
Patents

156.08987 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.097146 134.3
[M+Na]+ 179.079088 139.6
[M-H]- 155.082594 131.7
[M+NH4]+ 174.123693 150.7
[M+K]+ 195.053028 137.5
[M+H-H2O]+ 139.087130 127.4
[M+HCOO]- 201.088071 150.6
[M+CH3COO]- 215.103721 170.2
[M+Na-2H]- 177.064536 139.3
[M]+ 156.08932142 129.4
[M]- 156.09041858 129.4
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

patents stripe