CID 137965683

2230798-46-4

Structural Information

Molecular Formula
C14H23NO6
SMILES
CC(C)(C)OC(=O)N1CCOC(C1)(COCC=C)C(=O)O
InChI
InChI=1S/C14H23NO6/c1-5-7-19-10-14(11(16)17)9-15(6-8-20-14)12(18)21-13(2,3)4/h5H,1,6-10H2,2-4H3,(H,16,17)
InChIKey
ATYORHCULVVYFH-UHFFFAOYSA-N
Compound name
4-[(2-methylpropan-2-yl)oxycarbonyl]-2-(prop-2-enoxymethyl)morpholine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.15253 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.15981 167.9
[M+Na]+ 324.14175 172.2
[M-H]- 300.14525 168.4
[M+NH4]+ 319.18635 181.5
[M+K]+ 340.11569 173.1
[M+H-H2O]+ 284.14979 162.4
[M+HCOO]- 346.15073 181.2
[M+CH3COO]- 360.16638 198.5
[M+Na-2H]- 322.12720 171.1
[M]+ 301.15198 170.2
[M]- 301.15308 170.2
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.