CID 79007056

En300-7549533

Structural Information

Molecular Formula
C6H6N2O3
SMILES
CC1=NN=C(O1)/C=C/C(=O)O
InChI
InChI=1S/C6H6N2O3/c1-4-7-8-5(11-4)2-3-6(9)10/h2-3H,1H3,(H,9,10)/b3-2+
InChIKey
VATRHMCOWYJEIE-NSCUHMNNSA-N
Compound name
(E)-3-(5-methyl-1,3,4-oxadiazol-2-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.03784 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.04512 128.6
[M+Na]+ 177.02706 138.0
[M-H]- 153.03056 129.3
[M+NH4]+ 172.07166 146.8
[M+K]+ 193.00100 137.6
[M+H-H2O]+ 137.03510 122.2
[M+HCOO]- 199.03604 149.9
[M+CH3COO]- 213.05169 170.7
[M+Na-2H]- 175.01251 134.3
[M]+ 154.03729 130.3
[M]- 154.03839 130.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.