CID 3040951

Sydnone, 4-isopropyl-3-phenyl-

Structural Information

Molecular Formula
C11H13N2O2
SMILES
CC(C)C1=[N+](NOC1=O)C2=CC=CC=C2
InChI
InChI=1S/C11H12N2O2/c1-8(2)10-11(14)15-12-13(10)9-6-4-3-5-7-9/h3-8H,1-2H3/p+1
InChIKey
AHGHATWVADBICH-UHFFFAOYSA-O
Compound name
3-phenyl-4-propan-2-yl-2H-oxadiazol-3-ium-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

205.0977 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.104976 144.1
[M+Na]+ 228.086918 153.3
[M-H]- 204.090424 148.6
[M+NH4]+ 223.131523 160.1
[M+K]+ 244.060858 145.5
[M+H-H2O]+ 188.094960 139.4
[M+HCOO]- 250.095901 164.6
[M+CH3COO]- 264.111551 175.3
[M+Na-2H]- 226.072366 151.3
[M]+ 205.09715142 143.7
[M]- 205.09824858 143.7
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

patents stripe