CID 203432

Sydnone, 4-(carboxymethyl)-3-isopropyl-

Structural Information

Molecular Formula
C7H11N2O4
SMILES
CC(C)[N+]1=C(C(=O)ON1)CC(=O)O
InChI
InChI=1S/C7H10N2O4/c1-4(2)9-5(3-6(10)11)7(12)13-8-9/h4H,3H2,1-2H3,(H-,8,10,11,12)/p+1
InChIKey
DZKYVBBRKSWJRL-UHFFFAOYSA-O
Compound name
2-(5-oxo-3-propan-2-yl-2H-oxadiazol-3-ium-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.07188 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.07916 136.5
[M+Na]+ 210.06110 145.4
[M-H]- 186.06460 136.5
[M+NH4]+ 205.10570 152.6
[M+K]+ 226.03504 139.3
[M+H-H2O]+ 170.06914 133.2
[M+HCOO]- 232.07008 154.9
[M+CH3COO]- 246.08573 169.0
[M+Na-2H]- 208.04655 142.2
[M]+ 187.07133 136.6
[M]- 187.07243 136.6
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.