CID 207454

3-isopropyl-4-phenylsydnone imine hydrochloride

Structural Information

Molecular Formula
C11H14N3O2
SMILES
CC(C)[N+]1=C(C(=O)ON1)C2=CC=CCC2=N
InChI
InChI=1S/C11H13N3O2/c1-7(2)14-10(11(15)16-13-14)8-5-3-4-6-9(8)12/h3-5,7,12H,6H2,1-2H3/p+1
InChIKey
CVDUXRAVVQCVDO-UHFFFAOYSA-O
Compound name
4-(6-iminocyclohexa-1,3-dien-1-yl)-3-propan-2-yl-2H-oxadiazol-3-ium-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.1086 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.11588 146.2
[M+Na]+ 243.09782 159.9
[M+NH4]+ 238.14242 153.7
[M+K]+ 259.07176 157.8
[M-H]- 219.10132 150.8
[M+Na-2H]- 241.08327 152.4
[M]+ 220.10805 149.5
[M]- 220.10915 149.5
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.