CID 3041384

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

Structural Information

Molecular Formula
C12H13N3O3
SMILES
CC1=CC(=CC=C1)C2=NN=C(O2)COC(=O)NC
InChI
InChI=1S/C12H13N3O3/c1-8-4-3-5-9(6-8)11-15-14-10(18-11)7-17-12(16)13-2/h3-6H,7H2,1-2H3,(H,13,16)
InChIKey
SFEBAWYACFMZHA-UHFFFAOYSA-N
Compound name
[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.09569 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.10297 154.3
[M+Na]+ 270.08491 162.7
[M-H]- 246.08841 159.7
[M+NH4]+ 265.12951 169.2
[M+K]+ 286.05885 161.6
[M+H-H2O]+ 230.09295 145.8
[M+HCOO]- 292.09389 177.5
[M+CH3COO]- 306.10954 193.4
[M+Na-2H]- 268.07036 159.4
[M]+ 247.09514 158.0
[M]- 247.09624 158.0
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.