CID 199180

Sydnone, 4-isopropyl-3-(p-tolyl)-

Structural Information

Molecular Formula
C12H15N2O2
SMILES
CC1=CC=C(C=C1)[N+]2=C(C(=O)ON2)C(C)C
InChI
InChI=1S/C12H14N2O2/c1-8(2)11-12(15)16-13-14(11)10-6-4-9(3)5-7-10/h4-8H,1-3H3/p+1
InChIKey
FZSCJHFWOABLGR-UHFFFAOYSA-O
Compound name
3-(4-methylphenyl)-4-propan-2-yl-2H-oxadiazol-3-ium-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.11336 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.12064 146.1
[M+Na]+ 242.10258 161.7
[M+NH4]+ 237.14718 154.3
[M+K]+ 258.07652 158.9
[M-H]- 218.10608 150.9
[M+Na-2H]- 240.08803 153.4
[M]+ 219.11281 150.0
[M]- 219.11391 150.0
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.