CID 3058079

74500-82-6

Structural Information

Molecular Formula
C16H16N2O3
SMILES
C1CCN(C1)CC#CCON2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C16H16N2O3/c19-15-13-7-1-2-8-14(13)16(20)18(15)21-12-6-5-11-17-9-3-4-10-17/h1-2,7-8H,3-4,9-12H2
InChIKey
KRHQIKDGBOUZLG-UHFFFAOYSA-N
Compound name
2-(4-pyrrolidin-1-ylbut-2-ynoxy)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.1161 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.12338 165.2
[M+Na]+ 307.10532 175.3
[M-H]- 283.10882 167.2
[M+NH4]+ 302.14992 180.4
[M+K]+ 323.07926 167.7
[M+H-H2O]+ 267.11336 150.8
[M+HCOO]- 329.11430 178.7
[M+CH3COO]- 343.12995 203.5
[M+Na-2H]- 305.09077 163.9
[M]+ 284.11555 159.6
[M]- 284.11665 159.6
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.