CID 8063354

N-(2-pentynyl)phthalimide

Structural Information

Molecular Formula
C13H11NO2
SMILES
CCC#CCN1C(=O)C2=CC=CC=C2C1=O
InChI
InChI=1S/C13H11NO2/c1-2-3-6-9-14-12(15)10-7-4-5-8-11(10)13(14)16/h4-5,7-8H,2,9H2,1H3
InChIKey
YGFAGDNPORPFTC-UHFFFAOYSA-N
Compound name
2-pent-2-ynylisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

213.07898 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.086256 147.7
[M+Na]+ 236.068198 159.9
[M-H]- 212.071704 149.3
[M+NH4]+ 231.112803 166.1
[M+K]+ 252.042138 153.3
[M+H-H2O]+ 196.076240 135.4
[M+HCOO]- 258.077181 164.0
[M+CH3COO]- 272.092831 194.1
[M+Na-2H]- 234.053646 150.4
[M]+ 213.07843142 143.8
[M]- 213.07952858 143.8
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