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 148.5
[M+Na]+ 242.10258 158.2
[M-H]- 218.10608 153.2
[M+NH4]+ 237.14718 164.3
[M+K]+ 258.07652 150.2
[M+H-H2O]+ 202.11062 143.9
[M+HCOO]- 264.11156 168.6
[M+CH3COO]- 278.12721 179.4
[M+Na-2H]- 240.08803 154.5
[M]+ 219.11281 148.9
[M]- 219.11391 148.9
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.