CID 75409984

1347750-75-7

Structural Information

Molecular Formula
C14H27NO7
SMILES
CC(C)(C)OC(=O)NCCOCCOCCOCCC(=O)O
InChI
InChI=1S/C14H27NO7/c1-14(2,3)22-13(18)15-5-7-20-9-11-21-10-8-19-6-4-12(16)17/h4-11H2,1-3H3,(H,15,18)(H,16,17)
InChIKey
PFAQEUVPPBOTTA-UHFFFAOYSA-N
Compound name
3-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

120
Patents

321.17874 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.18602 175.6
[M+Na]+ 344.16796 178.3
[M-H]- 320.17146 173.2
[M+NH4]+ 339.21256 189.3
[M+K]+ 360.14190 179.1
[M+H-H2O]+ 304.17600 169.0
[M+HCOO]- 366.17694 198.1
[M+CH3COO]- 380.19259 206.0
[M+Na-2H]- 342.15341 177.3
[M]+ 321.17819 183.9
[M]- 321.17929 183.9
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

patents stripe