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]+ 206.10498 144.1
[M+Na]+ 228.08692 153.3
[M-H]- 204.09042 148.6
[M+NH4]+ 223.13152 160.1
[M+K]+ 244.06086 145.5
[M+H-H2O]+ 188.09496 139.4
[M+HCOO]- 250.09590 164.6
[M+CH3COO]- 264.11155 175.3
[M+Na-2H]- 226.07237 151.3
[M]+ 205.09715 143.7
[M]- 205.09825 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