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]+ 274.16490 164.2
[M+Na]+ 296.14684 167.8
[M-H]- 272.15034 164.6
[M+NH4]+ 291.19144 177.0
[M+K]+ 312.12078 168.5
[M+H-H2O]+ 256.15488 157.7
[M+HCOO]- 318.15582 177.4
[M+CH3COO]- 332.17147 194.6
[M+Na-2H]- 294.13229 166.0
[M]+ 273.15707 164.9
[M]- 273.15817 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.