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]+ 156.06552 129.8
[M+Na]+ 178.04746 137.9
[M-H]- 154.05096 132.2
[M+NH4]+ 173.09206 153.6
[M+K]+ 194.02140 137.4
[M+H-H2O]+ 138.05550 126.4
[M+HCOO]- 200.05644 150.9
[M+CH3COO]- 214.07209 175.2
[M+Na-2H]- 176.03291 133.9
[M]+ 155.05769 129.1
[M]- 155.05879 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.