CID 124706082

Rac-methyl (2r,3r)-3-(aminomethyl)oxolane-2-carboxylate hydrochloride

Structural Information

Molecular Formula
C7H13NO3
SMILES
COC(=O)[C@H]1[C@H](CCO1)CN
InChI
InChI=1S/C7H13NO3/c1-10-7(9)6-5(4-8)2-3-11-6/h5-6H,2-4,8H2,1H3/t5-,6-/m1/s1
InChIKey
KTUOYOBLGIOGLU-PHDIDXHHSA-N
Compound name
methyl (2R,3R)-3-(aminomethyl)oxolane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

159.08954 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.09682 133.8
[M+Na]+ 182.07876 139.9
[M-H]- 158.08226 137.3
[M+NH4]+ 177.12336 154.5
[M+K]+ 198.05270 140.9
[M+H-H2O]+ 142.08680 128.5
[M+HCOO]- 204.08774 156.1
[M+CH3COO]- 218.10339 176.8
[M+Na-2H]- 180.06421 137.2
[M]+ 159.08899 132.8
[M]- 159.09009 132.8
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

patents stripe