CID 209492

19951-51-0

Structural Information

Molecular Formula
C6H10N3O3
SMILES
C1=C(ON=[N+]1CCCC(=O)O)N
InChI
InChI=1S/C6H9N3O3/c7-5-4-9(8-12-5)3-1-2-6(10)11/h4H,1-3H2,(H2-,7,8,10,11)/p+1
InChIKey
WEFDGZDVSSLBAQ-UHFFFAOYSA-O
Compound name
4-(5-aminooxadiazol-3-ium-3-yl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

172.07222 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.079496 133.4
[M+Na]+ 195.061438 141.3
[M-H]- 171.064944 133.8
[M+NH4]+ 190.106043 149.9
[M+K]+ 211.035378 135.6
[M+H-H2O]+ 155.069480 129.1
[M+HCOO]- 217.070421 154.6
[M+CH3COO]- 231.086071 169.5
[M+Na-2H]- 193.046886 141.2
[M]+ 172.07167142 132.7
[M]- 172.07276858 132.7
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