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]+ 214.08626 147.7
[M+Na]+ 236.06820 159.9
[M-H]- 212.07170 149.3
[M+NH4]+ 231.11280 166.1
[M+K]+ 252.04214 153.3
[M+H-H2O]+ 196.07624 135.4
[M+HCOO]- 258.07718 164.0
[M+CH3COO]- 272.09283 194.1
[M+Na-2H]- 234.05365 150.4
[M]+ 213.07843 143.8
[M]- 213.07953 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