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]+ 174.112476 138.1
[M+Na]+ 196.094418 143.0
[M-H]- 172.097924 141.2
[M+NH4]+ 191.139023 156.4
[M+K]+ 212.068358 143.8
[M+H-H2O]+ 156.102460 132.2
[M+HCOO]- 218.103401 158.0
[M+CH3COO]- 232.119051 180.2
[M+Na-2H]- 194.079866 142.1
[M]+ 173.10465142 135.5
[M]- 173.10574858 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.