CID 75439164

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

Structural Information

Molecular Formula
C12H21NO4
SMILES
CC(=O)CC1COCCN1C(=O)OC(C)(C)C
InChI
InChI=1S/C12H21NO4/c1-9(14)7-10-8-16-6-5-13(10)11(15)17-12(2,3)4/h10H,5-8H2,1-4H3
InChIKey
TVTKDVMDKMTAFJ-UHFFFAOYSA-N
Compound name
tert-butyl 3-(2-oxopropyl)morpholine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.14706 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.15434 156.1
[M+Na]+ 266.13628 160.8
[M-H]- 242.13978 158.2
[M+NH4]+ 261.18088 171.0
[M+K]+ 282.11022 162.0
[M+H-H2O]+ 226.14432 149.8
[M+HCOO]- 288.14526 171.0
[M+CH3COO]- 302.16091 191.9
[M+Na-2H]- 264.12173 158.8
[M]+ 243.14651 156.9
[M]- 243.14761 156.9
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.