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]+ 146.081176 129.3
[M+Na]+ 168.063118 134.5
[M-H]- 144.066624 131.3
[M+NH4]+ 163.107723 147.9
[M+K]+ 184.037058 134.9
[M+H-H2O]+ 128.071160 123.9
[M+HCOO]- 190.072101 148.3
[M+CH3COO]- 204.087751 172.3
[M+Na-2H]- 166.048566 133.9
[M]+ 145.07335142 124.2
[M]- 145.07444858 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.