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]+ 220.07167 144.8
[M+Na]+ 242.05361 153.1
[M-H]- 218.05711 149.6
[M+NH4]+ 237.09821 160.1
[M+K]+ 258.02755 152.0
[M+H-H2O]+ 202.06165 136.3
[M+HCOO]- 264.06259 168.1
[M+CH3COO]- 278.07824 186.2
[M+Na-2H]- 240.03906 150.7
[M]+ 219.06384 146.4
[M]- 219.06494 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