CID 10197984

191471-52-0

Structural Information

Molecular Formula
C7H9NO5
SMILES
C1[C@]([C@@H]2[C@H]([C@@H]2O1)C(=O)O)(C(=O)O)N
InChI
InChI=1S/C7H9NO5/c8-7(6(11)12)1-13-4-2(3(4)7)5(9)10/h2-4H,1,8H2,(H,9,10)(H,11,12)/t2-,3-,4+,7+/m1/s1
InChIKey
YASVRZWVUGJELU-MDASVERJSA-N
Compound name
(1R,4R,5S,6R)-4-amino-2-oxabicyclo[3.1.0]hexane-4,6-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

233
References

75
Patents

187.04807 Da
Monoisotopic Mass

-4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.05535 139.4
[M+Na]+ 210.03729 147.6
[M+NH4]+ 205.08189 147.2
[M+K]+ 226.01123 147.8
[M-H]- 186.04079 145.9
[M+Na-2H]- 208.02274 142.8
[M]+ 187.04752 143.2
[M]- 187.04862 143.2
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