CID 81252634

1562269-38-8

Structural Information

Molecular Formula
C7H8N2O4
SMILES
COCC1=NN=C(O1)/C=C/C(=O)O
InChI
InChI=1S/C7H8N2O4/c1-12-4-6-9-8-5(13-6)2-3-7(10)11/h2-3H,4H2,1H3,(H,10,11)/b3-2+
InChIKey
HFHGTECLCXUVBJ-NSCUHMNNSA-N
Compound name
(E)-3-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.0484 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.055676 135.7
[M+Na]+ 207.037618 144.5
[M-H]- 183.041124 136.2
[M+NH4]+ 202.082223 152.6
[M+K]+ 223.011558 144.4
[M+H-H2O]+ 167.045660 128.9
[M+HCOO]- 229.046601 156.8
[M+CH3COO]- 243.062251 175.9
[M+Na-2H]- 205.023066 141.0
[M]+ 184.04785142 139.2
[M]- 184.04894858 139.2
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.