CID 53429456

Tert-butyl 3-(2-hydroxyethyl)morpholine-4-carboxylate

Structural Information

Molecular Formula
C11H21NO4
SMILES
CC(C)(C)OC(=O)N1CCOCC1CCO
InChI
InChI=1S/C11H21NO4/c1-11(2,3)16-10(14)12-5-7-15-8-9(12)4-6-13/h9,13H,4-8H2,1-3H3
InChIKey
ISQYKHGGGYDEKA-UHFFFAOYSA-N
Compound name
tert-butyl 3-(2-hydroxyethyl)morpholine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

231.14706 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.154336 154.5
[M+Na]+ 254.136278 159.0
[M-H]- 230.139784 155.2
[M+NH4]+ 249.180883 169.3
[M+K]+ 270.110218 159.7
[M+H-H2O]+ 214.144320 148.3
[M+HCOO]- 276.145261 168.9
[M+CH3COO]- 290.160911 186.2
[M+Na-2H]- 252.121726 158.2
[M]+ 231.14651142 154.3
[M]- 231.14760858 154.3
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

patents stripe