CID 52416482

1257553-09-5

Structural Information

Molecular Formula
C10H11N3O3S
SMILES
CS(=O)(=O)C1=CC=C(C=C1)CC2=NN=C(O2)N
InChI
InChI=1S/C10H11N3O3S/c1-17(14,15)8-4-2-7(3-5-8)6-9-12-13-10(11)16-9/h2-5H,6H2,1H3,(H2,11,13)
InChIKey
FMGPBEYBLVZGNQ-UHFFFAOYSA-N
Compound name
5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.05211 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.059386 153.9
[M+Na]+ 276.041328 164.4
[M-H]- 252.044834 159.5
[M+NH4]+ 271.085933 169.0
[M+K]+ 292.015268 161.7
[M+H-H2O]+ 236.049370 146.8
[M+HCOO]- 298.050311 171.8
[M+CH3COO]- 312.065961 190.7
[M+Na-2H]- 274.026776 157.9
[M]+ 253.05156142 157.5
[M]- 253.05265858 157.5
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.