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]+ 250.08223 152.2
[M+Na]+ 272.06417 160.8
[M-H]- 248.06767 157.3
[M+NH4]+ 267.10877 166.5
[M+K]+ 288.03811 160.1
[M+H-H2O]+ 232.07221 143.6
[M+HCOO]- 294.07315 175.3
[M+CH3COO]- 308.08880 192.7
[M+Na-2H]- 270.04962 157.0
[M]+ 249.07440 156.0
[M]- 249.07550 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.