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 133.5
[M+Na]+ 210.03729 143.3
[M-H]- 186.04079 137.0
[M+NH4]+ 205.08189 149.9
[M+K]+ 226.01123 141.6
[M+H-H2O]+ 170.04533 130.6
[M+HCOO]- 232.04627 151.4
[M+CH3COO]- 246.06192 181.6
[M+Na-2H]- 208.02274 138.1
[M]+ 187.04752 135.9
[M]- 187.04862 135.9
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