CID 165623646

2228789-96-4

Structural Information

Molecular Formula
C13H23NO5
SMILES
CC(C)(C)OC(=O)N1CCOC(C1)CCCC(=O)O
InChI
InChI=1S/C13H23NO5/c1-13(2,3)19-12(17)14-7-8-18-10(9-14)5-4-6-11(15)16/h10H,4-9H2,1-3H3,(H,15,16)
InChIKey
DHRSATDZETZECC-UHFFFAOYSA-N
Compound name
4-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-2-yl]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.15762 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.164896 164.2
[M+Na]+ 296.146838 167.8
[M-H]- 272.150344 164.6
[M+NH4]+ 291.191443 177.0
[M+K]+ 312.120778 168.5
[M+H-H2O]+ 256.154880 157.7
[M+HCOO]- 318.155821 177.4
[M+CH3COO]- 332.171471 194.6
[M+Na-2H]- 294.132286 166.0
[M]+ 273.15707142 164.9
[M]- 273.15816858 164.9
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.