CID 199269

3921-97-9

Structural Information

Molecular Formula
C16H16N2O2
SMILES
C1CCN(C1)CC#CCN2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C16H16N2O2/c19-15-13-7-1-2-8-14(13)16(20)18(15)12-6-5-11-17-9-3-4-10-17/h1-2,7-8H,3-4,9-12H2
InChIKey
FLZKUBUNEBRGJS-UHFFFAOYSA-N
Compound name
2-(4-pyrrolidin-1-ylbut-2-ynyl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

268.1212 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.12848 165.2
[M+Na]+ 291.11042 175.8
[M+NH4]+ 286.15502 169.0
[M+K]+ 307.08436 169.0
[M-H]- 267.11392 158.6
[M+Na-2H]- 289.09587 165.7
[M]+ 268.12065 163.8
[M]- 268.12175 163.8
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