CID 39662

50413-16-6

Structural Information

Molecular Formula

C₁₅H₁₆N₂O₃

SMILES

CC1(CC(=C2COC(=O)C2=O)NN1C3=CC=CC=C3)C

InChI

InChI=1S/C15H16N2O3/c1-15(2)8-12(11-9-20-14(19)13(11)18)16-17(15)10-6-4-3-5-7-10/h3-7,16H,8-9H2,1-2H3

InChIKey

RBXWAVKIUGWBLR-UHFFFAOYSA-N

Compound name

4-(5,5-dimethyl-1-phenylpyrazolidin-3-ylidene)oxolane-2,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 272.1161 Da
Monoisotopic Mass: 2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	273.123376	161.1
[M+Na]+	295.105318	169.4
[M-H]-	271.108824	168.1
[M+NH4]+	290.149923	178.2
[M+K]+	311.079258	165.8
[M+H-H2O]+	255.113360	154.3
[M+HCOO]-	317.114301	178.6
[M+CH3COO]-	331.129951	172.8
[M+Na-2H]-	293.090766	160.4
[M]+	272.11555142	157.8
[M]-	272.11664858	157.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.