CID 86811552

Tert-butyl 2-[n-(morpholin-2-ylmethyl)methanesulfonamido]acetate

Structural Information

Molecular Formula
C12H24N2O5S
SMILES
CC(C)(C)OC(=O)CN(CC1CNCCO1)S(=O)(=O)C
InChI
InChI=1S/C12H24N2O5S/c1-12(2,3)19-11(15)9-14(20(4,16)17)8-10-7-13-5-6-18-10/h10,13H,5-9H2,1-4H3
InChIKey
QGURZAVBJJGIJP-UHFFFAOYSA-N
Compound name
tert-butyl 2-[methylsulfonyl(morpholin-2-ylmethyl)amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.1406 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.14788 169.5
[M+Na]+ 331.12982 172.2
[M-H]- 307.13332 171.0
[M+NH4]+ 326.17442 181.3
[M+K]+ 347.10376 172.8
[M+H-H2O]+ 291.13786 162.8
[M+HCOO]- 353.13880 179.1
[M+CH3COO]- 367.15445 202.0
[M+Na-2H]- 329.11527 172.1
[M]+ 308.14005 171.3
[M]- 308.14115 171.3
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.