CID 12996083

783340-43-2

Structural Information

Molecular Formula
C7H9NO3
SMILES
C1=C[C@H]2[C@@H]([C@@H]([C@@H]1O2)C(=O)O)N
InChI
InChI=1S/C7H9NO3/c8-6-4-2-1-3(11-4)5(6)7(9)10/h1-6H,8H2,(H,9,10)/t3-,4+,5-,6+/m1/s1
InChIKey
YKLWNGBAMDGQQX-MOJAZDJTSA-N
Compound name
(1R,2S,3R,4S)-3-amino-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.05824 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.065516 129.8
[M+Na]+ 178.047458 137.9
[M-H]- 154.050964 132.2
[M+NH4]+ 173.092063 153.6
[M+K]+ 194.021398 137.4
[M+H-H2O]+ 138.055500 126.4
[M+HCOO]- 200.056441 150.9
[M+CH3COO]- 214.072091 175.2
[M+Na-2H]- 176.032906 133.9
[M]+ 155.05769142 129.1
[M]- 155.05878858 129.1
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

No patent data available for this compound.