CID 15581983

(3ar,4r,7s,7as)-hexahydro-1h-4,7-methanoisoindole-1,3(2h)-dione

Structural Information

Molecular Formula
C9H11NO2
SMILES
C1C[C@H]2C[C@@H]1[C@@H]3[C@H]2C(=O)NC3=O
InChI
InChI=1S/C9H11NO2/c11-8-6-4-1-2-5(3-4)7(6)9(12)10-8/h4-7H,1-3H2,(H,10,11,12)/t4-,5+,6-,7+
InChIKey
RIVOBMOBWMOLDJ-UMRXKNAASA-N
Compound name
(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

165.07898 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.08626 137.1
[M+Na]+ 188.06820 145.9
[M-H]- 164.07170 138.8
[M+NH4]+ 183.11280 163.7
[M+K]+ 204.04214 142.9
[M+H-H2O]+ 148.07624 133.7
[M+HCOO]- 210.07718 155.5
[M+CH3COO]- 224.09283 150.4
[M+Na-2H]- 186.05365 138.0
[M]+ 165.07843 134.5
[M]- 165.07953 134.5
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