CID 9568193

Nsc60360

Structural Information

Molecular Formula
C14H18N2O8
SMILES
C1=CC2C3C(C1O2)C(=O)N(C3=O)/N=C/C(C(C(C(CO)O)O)O)O
InChI
InChI=1S/C14H18N2O8/c17-4-6(19)12(21)11(20)5(18)3-15-16-13(22)9-7-1-2-8(24-7)10(9)14(16)23/h1-3,5-12,17-21H,4H2/b15-3+
InChIKey
ABPQKJRMXSXZGS-CRKCGEKBSA-N
Compound name
2-[(E)-2,3,4,5,6-pentahydroxyhexylideneamino]-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.10632 Da
Monoisotopic Mass

-4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.11360 174.2
[M+Na]+ 365.09554 177.6
[M-H]- 341.09904 172.5
[M+NH4]+ 360.14014 189.1
[M+K]+ 381.06948 177.9
[M+H-H2O]+ 325.10358 171.7
[M+HCOO]- 387.10452 184.8
[M+CH3COO]- 401.12017 206.8
[M+Na-2H]- 363.08099 170.9
[M]+ 342.10577 175.0
[M]- 342.10687 175.0
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.