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 139.9
[M+Na]+ 212.06820 151.0
[M-H]- 188.07170 141.3
[M+NH4]+ 207.11280 158.9
[M+K]+ 228.04214 145.1
[M+H-H2O]+ 172.07624 128.1
[M+HCOO]- 234.07718 154.2
[M+CH3COO]- 248.09283 190.6
[M+Na-2H]- 210.05365 142.0
[M]+ 189.07843 133.0
[M]- 189.07953 133.0
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.