CID 5716906

(1s,3r,4r,5z)-1,3,4-trihydroxy-5-hydroxyiminocyclohexane-1-carboxylic acid

Structural Information

Molecular Formula
C7H11NO6
SMILES
C1[C@H]([C@@H](/C(=N\O)/C[C@]1(C(=O)O)O)O)O
InChI
InChI=1S/C7H11NO6/c9-4-2-7(13,6(11)12)1-3(8-14)5(4)10/h4-5,9-10,13-14H,1-2H2,(H,11,12)/b8-3-/t4-,5-,7+/m1/s1
InChIKey
WASIBXJFRXJWAR-UVSYOQKLSA-N
Compound name
(1S,3R,4R,5Z)-1,3,4-trihydroxy-5-hydroxyiminocyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

205.05864 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.06592 139.3
[M+Na]+ 228.04786 145.5
[M-H]- 204.05136 137.7
[M+NH4]+ 223.09246 157.2
[M+K]+ 244.02180 144.2
[M+H-H2O]+ 188.05590 135.6
[M+HCOO]- 250.05684 155.6
[M+CH3COO]- 264.07249 176.6
[M+Na-2H]- 226.03331 142.4
[M]+ 205.05809 134.2
[M]- 205.05919 134.2
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