CID 3041362

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

Structural Information

Molecular Formula
C10H9N3O3
SMILES
C1=CC=C(C=C1)C2=NN=C(O2)COC(=O)N
InChI
InChI=1S/C10H9N3O3/c11-10(14)15-6-8-12-13-9(16-8)7-4-2-1-3-5-7/h1-5H,6H2,(H2,11,14)
InChIKey
LQPHYQABGVQTKO-UHFFFAOYSA-N
Compound name
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

219.06439 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.07167 145.9
[M+Na]+ 242.05361 157.6
[M+NH4]+ 237.09821 152.2
[M+K]+ 258.02755 155.1
[M-H]- 218.05711 148.9
[M+Na-2H]- 240.03906 152.4
[M]+ 219.06384 148.1
[M]- 219.06494 148.1
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