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]+ 173.07950 133.4
[M+Na]+ 195.06144 141.3
[M-H]- 171.06494 133.8
[M+NH4]+ 190.10604 149.9
[M+K]+ 211.03538 135.6
[M+H-H2O]+ 155.06948 129.1
[M+HCOO]- 217.07042 154.6
[M+CH3COO]- 231.08607 169.5
[M+Na-2H]- 193.04689 141.2
[M]+ 172.07167 132.7
[M]- 172.07277 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