CID 6992236

Cis-hexahydrophthalimide

Structural Information

Molecular Formula
C8H11NO2
SMILES
C1CC[C@H]2[C@@H](C1)C(=O)NC2=O
InChI
InChI=1S/C8H11NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h5-6H,1-4H2,(H,9,10,11)/t5-,6+
InChIKey
WLDMPODMCFGWAA-OLQVQODUSA-N
Compound name
(3aS,7aR)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1946
Patents

153.07898 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.08626 131.4
[M+Na]+ 176.06820 138.4
[M-H]- 152.07170 132.7
[M+NH4]+ 171.11280 153.3
[M+K]+ 192.04214 135.8
[M+H-H2O]+ 136.07624 126.1
[M+HCOO]- 198.07718 149.1
[M+CH3COO]- 212.09283 171.8
[M+Na-2H]- 174.05365 134.9
[M]+ 153.07843 125.6
[M]- 153.07953 125.6
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.