CID 3041374

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

Structural Information

Molecular Formula
C11H11N3O3
SMILES
CC1=CC(=CC=C1)C2=NN=C(O2)COC(=O)N
InChI
InChI=1S/C11H11N3O3/c1-7-3-2-4-8(5-7)10-14-13-9(17-10)6-16-11(12)15/h2-5H,6H2,1H3,(H2,12,15)
InChIKey
YJJONIOKBMZKHY-UHFFFAOYSA-N
Compound name
[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.08005 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.087326 149.9
[M+Na]+ 256.069268 158.6
[M-H]- 232.072774 154.9
[M+NH4]+ 251.113873 164.9
[M+K]+ 272.043208 157.3
[M+H-H2O]+ 216.077310 141.5
[M+HCOO]- 278.078251 172.7
[M+CH3COO]- 292.093901 190.5
[M+Na-2H]- 254.054716 154.5
[M]+ 233.07950142 152.2
[M]- 233.08059858 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

No patent data available for this compound.