CID 137699019

1823994-60-0

Structural Information

Molecular Formula
C13H21NO5
SMILES
CC(C)(C)OC(=O)N1CCOC(C1)(CC=C)C(=O)O
InChI
InChI=1S/C13H21NO5/c1-5-6-13(10(15)16)9-14(7-8-18-13)11(17)19-12(2,3)4/h5H,1,6-9H2,2-4H3,(H,15,16)
InChIKey
RZXFFNGMANLBKA-UHFFFAOYSA-N
Compound name
4-[(2-methylpropan-2-yl)oxycarbonyl]-2-prop-2-enylmorpholine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.14197 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.149246 161.0
[M+Na]+ 294.131188 165.9
[M-H]- 270.134694 161.8
[M+NH4]+ 289.175793 175.9
[M+K]+ 310.105128 166.4
[M+H-H2O]+ 254.139230 155.9
[M+HCOO]- 316.140171 174.4
[M+CH3COO]- 330.155821 193.3
[M+Na-2H]- 292.116636 164.4
[M]+ 271.14142142 161.4
[M]- 271.14251858 161.4
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.