CID 71742818

1416444-89-7

Structural Information

Molecular Formula
C12H24N2O3
SMILES
CC1(CN(C[C@@H](O1)CN)C(=O)OC(C)(C)C)C
InChI
InChI=1S/C12H24N2O3/c1-11(2,3)17-10(15)14-7-9(6-13)16-12(4,5)8-14/h9H,6-8,13H2,1-5H3/t9-/m0/s1
InChIKey
PIUUZWSTMDXOAS-VIFPVBQESA-N
Compound name
tert-butyl (6S)-6-(aminomethyl)-2,2-dimethylmorpholine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

244.1787 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.185976 158.4
[M+Na]+ 267.167918 164.1
[M-H]- 243.171424 160.5
[M+NH4]+ 262.212523 175.2
[M+K]+ 283.141858 164.9
[M+H-H2O]+ 227.175960 153.0
[M+HCOO]- 289.176901 174.1
[M+CH3COO]- 303.192551 194.9
[M+Na-2H]- 265.153366 162.0
[M]+ 244.17815142 158.0
[M]- 244.17924858 158.0
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