CID 3041385

1,3,4-oxadiazole-2-methanol, 5-(4-chlorophenyl)-, methylcarbamate (ester)

Structural Information

Molecular Formula
C11H10ClN3O3
SMILES
CNC(=O)OCC1=NN=C(O1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C11H10ClN3O3/c1-13-11(16)17-6-9-14-15-10(18-9)7-2-4-8(12)5-3-7/h2-5H,6H2,1H3,(H,13,16)
InChIKey
MDYBCAVFYATQDZ-UHFFFAOYSA-N
Compound name
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.04108 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.04836 156.5
[M+Na]+ 290.03030 165.9
[M-H]- 266.03380 161.8
[M+NH4]+ 285.07490 171.3
[M+K]+ 306.00424 163.3
[M+H-H2O]+ 250.03834 148.4
[M+HCOO]- 312.03928 175.3
[M+CH3COO]- 326.05493 194.1
[M+Na-2H]- 288.01575 161.5
[M]+ 267.04053 161.7
[M]- 267.04163 161.7
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.