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]+ 185.05568 135.7
[M+Na]+ 207.03762 144.5
[M-H]- 183.04112 136.2
[M+NH4]+ 202.08222 152.6
[M+K]+ 223.01156 144.4
[M+H-H2O]+ 167.04566 128.9
[M+HCOO]- 229.04660 156.8
[M+CH3COO]- 243.06225 175.9
[M+Na-2H]- 205.02307 141.0
[M]+ 184.04785 139.2
[M]- 184.04895 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.