CID 146155916

Rac-(2r,6s)-6-(aminomethyl)oxane-2-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C7H13NO3
SMILES
C1C[C@H](O[C@H](C1)C(=O)O)CN
InChI
InChI=1S/C7H13NO3/c8-4-5-2-1-3-6(11-5)7(9)10/h5-6H,1-4,8H2,(H,9,10)/t5-,6+/m0/s1
InChIKey
PYQKDNXCKYOCIW-NTSWFWBYSA-N
Compound name
(2R,6S)-6-(aminomethyl)oxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.08954 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.09682 133.9
[M+Na]+ 182.07876 138.7
[M-H]- 158.08226 135.8
[M+NH4]+ 177.12336 152.0
[M+K]+ 198.05270 138.9
[M+H-H2O]+ 142.08680 128.3
[M+HCOO]- 204.08774 152.6
[M+CH3COO]- 218.10339 175.3
[M+Na-2H]- 180.06421 137.9
[M]+ 159.08899 129.1
[M]- 159.09009 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.