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]+ 155.045116 128.6
[M+Na]+ 177.027058 138.0
[M-H]- 153.030564 129.3
[M+NH4]+ 172.071663 146.8
[M+K]+ 193.000998 137.6
[M+H-H2O]+ 137.035100 122.2
[M+HCOO]- 199.036041 149.9
[M+CH3COO]- 213.051691 170.7
[M+Na-2H]- 175.012506 134.3
[M]+ 154.03729142 130.3
[M]- 154.03838858 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.