CID 165987134

Rac-methyl (2r,4s)-2-(aminomethyl)oxane-4-carboxylate hydrochloride

Structural Information

Molecular Formula
C8H15NO3
SMILES
COC(=O)[C@@H]1CCO[C@@H](C1)CN
InChI
InChI=1S/C8H15NO3/c1-11-8(10)6-2-3-12-7(4-6)5-9/h6-7H,2-5,9H2,1H3/t6-,7+/m1/s1
InChIKey
XAVBPJXZTNCFOU-RQJHMYQMSA-N
Compound name
methyl (2S,4R)-2-(aminomethyl)oxane-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.1052 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.11248 138.1
[M+Na]+ 196.09442 143.0
[M-H]- 172.09792 141.2
[M+NH4]+ 191.13902 156.4
[M+K]+ 212.06836 143.8
[M+H-H2O]+ 156.10246 132.2
[M+HCOO]- 218.10340 158.0
[M+CH3COO]- 232.11905 180.2
[M+Na-2H]- 194.07987 142.1
[M]+ 173.10465 135.5
[M]- 173.10575 135.5
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.