CID 3041363

2-methylaminocarbonyloxymethyl-5-phenyl-1,3,4-oxadiazole

Structural Information

Molecular Formula
C11H11N3O3
SMILES
CNC(=O)OCC1=NN=C(O1)C2=CC=CC=C2
InChI
InChI=1S/C11H11N3O3/c1-12-11(15)16-7-9-13-14-10(17-9)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,12,15)
InChIKey
CFASWYQZODKGSN-UHFFFAOYSA-N
Compound name
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.08005 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.08733 149.4
[M+Na]+ 256.06927 157.2
[M-H]- 232.07277 154.5
[M+NH4]+ 251.11387 164.4
[M+K]+ 272.04321 156.3
[M+H-H2O]+ 216.07731 140.7
[M+HCOO]- 278.07825 172.9
[M+CH3COO]- 292.09390 189.2
[M+Na-2H]- 254.05472 155.7
[M]+ 233.07950 152.2
[M]- 233.08060 152.2
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

patents stripe