CID 155290891

Tert-butyl (2s,5r)-2-(aminomethyl)-5-methylmorpholine-4-carboxylate hydrochloride

Structural Information

Molecular Formula
C11H22N2O3
SMILES
C[C@@H]1CO[C@H](CN1C(=O)OC(C)(C)C)CN
InChI
InChI=1S/C11H22N2O3/c1-8-7-15-9(5-12)6-13(8)10(14)16-11(2,3)4/h8-9H,5-7,12H2,1-4H3/t8-,9+/m1/s1
InChIKey
PDOWADZZYKJXHO-BDAKNGLRSA-N
Compound name
tert-butyl (2S,5R)-2-(aminomethyl)-5-methylmorpholine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.16304 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.170316 156.0
[M+Na]+ 253.152258 161.2
[M-H]- 229.155764 157.9
[M+NH4]+ 248.196863 171.3
[M+K]+ 269.126198 161.7
[M+H-H2O]+ 213.160300 149.6
[M+HCOO]- 275.161241 172.1
[M+CH3COO]- 289.176891 192.3
[M+Na-2H]- 251.137706 158.6
[M]+ 230.16249142 154.8
[M]- 230.16358858 154.8
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

No patent data available for this compound.