CID 3041381

1,3,4-oxadiazole-2-methanol, 5-(4-methoxyphenyl)-, carbamate (ester)

Structural Information

Molecular Formula
C11H11N3O4
SMILES
COC1=CC=C(C=C1)C2=NN=C(O2)COC(=O)N
InChI
InChI=1S/C11H11N3O4/c1-16-8-4-2-7(3-5-8)10-14-13-9(18-10)6-17-11(12)15/h2-5H,6H2,1H3,(H2,12,15)
InChIKey
SPEMUKGHAOKUJE-UHFFFAOYSA-N
Compound name
[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.07495 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.082226 152.2
[M+Na]+ 272.064168 160.8
[M-H]- 248.067674 157.3
[M+NH4]+ 267.108773 166.5
[M+K]+ 288.038108 160.1
[M+H-H2O]+ 232.072210 143.6
[M+HCOO]- 294.073151 175.3
[M+CH3COO]- 308.088801 192.7
[M+Na-2H]- 270.049616 157.0
[M]+ 249.07440142 156.0
[M]- 249.07549858 156.0
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.