CID 41064

54399-03-0

Structural Information

Molecular Formula
C11H11NO2
SMILES
C#CCN1C(=O)C2CC=CCC2C1=O
InChI
InChI=1S/C11H11NO2/c1-2-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h1,3-4,8-9H,5-7H2
InChIKey
QLYIQGHYFPKJMV-UHFFFAOYSA-N
Compound name
2-prop-2-ynyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.07898 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.08626 142.5
[M+Na]+ 212.06820 153.3
[M+NH4]+ 207.11280 147.0
[M+K]+ 228.04214 145.8
[M-H]- 188.07170 135.2
[M+Na-2H]- 210.05365 142.7
[M]+ 189.07843 140.9
[M]- 189.07953 140.9
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.