CID 165903582

Rac-(3r,5s)-5-aminooxane-3-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C6H11NO3
SMILES
C1[C@H](COC[C@H]1N)C(=O)O
InChI
InChI=1S/C6H11NO3/c7-5-1-4(6(8)9)2-10-3-5/h4-5H,1-3,7H2,(H,8,9)/t4-,5+/m1/s1
InChIKey
HQELMMYWNKKPPG-UHNVWZDZSA-N
Compound name
(3R,5S)-5-aminooxane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

145.0739 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.08118 129.3
[M+Na]+ 168.06312 134.5
[M-H]- 144.06662 131.3
[M+NH4]+ 163.10772 147.9
[M+K]+ 184.03706 134.9
[M+H-H2O]+ 128.07116 123.9
[M+HCOO]- 190.07210 148.3
[M+CH3COO]- 204.08775 172.3
[M+Na-2H]- 166.04857 133.9
[M]+ 145.07335 124.2
[M]- 145.07445 124.2
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.