CID 10130273

2-oxa-4-aminobicyclo(3.1.0)hexane-4,6-dicarboxylic acid

Structural Information

Molecular Formula
C7H9NO5
SMILES
C1C(C2C(C2O1)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)
InChIKey
YASVRZWVUGJELU-UHFFFAOYSA-N
Compound name
4-amino-2-oxabicyclo[3.1.0]hexane-4,6-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

235
References

84
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

No literature data available for this compound.

Patent stripe

patents stripe