CID 165898873

Rac-methyl (3r,5s)-5-aminooxane-3-carboxylate hydrochloride

Structural Information

Molecular Formula
C7H13NO3
SMILES
COC(=O)[C@H]1C[C@H](COC1)N
InChI
InChI=1S/C7H13NO3/c1-10-7(9)5-2-6(8)4-11-3-5/h5-6H,2-4,8H2,1H3/t5-,6+/m0/s1
InChIKey
NEFUSOJJTKMAEO-NTSWFWBYSA-N
Compound name
methyl (3S,5R)-5-aminooxane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.08954 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.09682 133.4
[M+Na]+ 182.07876 138.7
[M-H]- 158.08226 136.8
[M+NH4]+ 177.12336 152.3
[M+K]+ 198.05270 139.9
[M+H-H2O]+ 142.08680 127.7
[M+HCOO]- 204.08774 153.6
[M+CH3COO]- 218.10339 177.1
[M+Na-2H]- 180.06421 138.0
[M]+ 159.08899 130.5
[M]- 159.09009 130.5
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.