CID 78357

N-(prop-2-ynyloxy)phthalimide

Structural Information

Molecular Formula
C11H7NO3
SMILES
C#CCON1C(=O)C2=CC=CC=C2C1=O
InChI
InChI=1S/C11H7NO3/c1-2-7-15-12-10(13)8-5-3-4-6-9(8)11(12)14/h1,3-6H,7H2
InChIKey
HBGZBVPXPDNXOV-UHFFFAOYSA-N
Compound name
2-prop-2-ynoxyisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

109
Patents

201.04259 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.049866 141.1
[M+Na]+ 224.031808 153.8
[M-H]- 200.035314 143.0
[M+NH4]+ 219.076413 159.7
[M+K]+ 240.005748 148.2
[M+H-H2O]+ 184.039850 129.0
[M+HCOO]- 246.040791 158.2
[M+CH3COO]- 260.056441 191.8
[M+Na-2H]- 222.017256 144.9
[M]+ 201.04204142 138.0
[M]- 201.04313858 138.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe