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]+ 172.07167 134.8
[M+Na]+ 194.05361 142.6
[M-H]- 170.05711 135.1
[M+NH4]+ 189.09821 151.6
[M+K]+ 210.02755 142.9
[M+H-H2O]+ 154.06165 127.8
[M+HCOO]- 216.06259 155.3
[M+CH3COO]- 230.07824 177.6
[M+Na-2H]- 192.03906 138.6
[M]+ 171.06384 134.9
[M]- 171.06494 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.