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

0
Patents

219.06439 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.071666 144.8
[M+Na]+ 242.053608 153.1
[M-H]- 218.057114 149.6
[M+NH4]+ 237.098213 160.1
[M+K]+ 258.027548 152.0
[M+H-H2O]+ 202.061650 136.3
[M+HCOO]- 264.062591 168.1
[M+CH3COO]- 278.078241 186.2
[M+Na-2H]- 240.039056 150.7
[M]+ 219.06384142 146.4
[M]- 219.06493858 146.4
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