CID 9584748

3-hydroxyimino quinic 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-GKQOBJDDSA-N
Compound name
(1S,3R,4R,5E)-1,3,4-trihydroxy-5-hydroxyiminocyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
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

literature stripe

Patent stripe

patents stripe