CID 155821623

Rac-methyl (1r,2s,3r,4s,5s,6r)-3-amino-5,6-dihydroxybicyclo[2.2.1]heptane-2-carboxylate hydrochloride

Structural Information

Molecular Formula
C9H15NO4
SMILES
COC(=O)[C@H]1[C@H]2C[C@@H]([C@H]1N)[C@@H]([C@@H]2O)O
InChI
InChI=1S/C9H15NO4/c1-14-9(13)5-3-2-4(6(5)10)8(12)7(3)11/h3-8,11-12H,2,10H2,1H3/t3-,4+,5+,6-,7-,8+/m1/s1
InChIKey
NZDYUXJAFGFMIW-JMELQFKFSA-N
Compound name
methyl (1R,2S,3R,4S,5S,6R)-3-amino-5,6-dihydroxybicyclo[2.2.1]heptane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.10011 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.10739 143.3
[M+Na]+ 224.08933 150.7
[M-H]- 200.09283 143.7
[M+NH4]+ 219.13393 166.2
[M+K]+ 240.06327 148.9
[M+H-H2O]+ 184.09737 140.2
[M+HCOO]- 246.09831 161.7
[M+CH3COO]- 260.11396 183.4
[M+Na-2H]- 222.07478 143.2
[M]+ 201.09956 141.6
[M]- 201.10066 141.6
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.