CID 16641335

2-amino-3-(4-methyl-1,2,5-oxadiazol-3-yl)propanoic acid hydrochloride

Structural Information

Molecular Formula
C6H9N3O3
SMILES
CC1=NON=C1CC(C(=O)O)N
InChI
InChI=1S/C6H9N3O3/c1-3-5(9-12-8-3)2-4(7)6(10)11/h4H,2,7H2,1H3,(H,10,11)
InChIKey
HRTNOEVRQGQFKD-UHFFFAOYSA-N
Compound name
2-amino-3-(4-methyl-1,2,5-oxadiazol-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.06439 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.071666 134.8
[M+Na]+ 194.053608 142.6
[M-H]- 170.057114 135.1
[M+NH4]+ 189.098213 151.6
[M+K]+ 210.027548 142.9
[M+H-H2O]+ 154.061650 127.8
[M+HCOO]- 216.062591 155.3
[M+CH3COO]- 230.078241 177.6
[M+Na-2H]- 192.039056 138.6
[M]+ 171.06384142 134.9
[M]- 171.06493858 134.9
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.