CID 15544433

462100-06-7

Structural Information

Molecular Formula
C13H25NO7
SMILES
CC(C)(C)OC(=O)NCCOCCOCCOCC(=O)O
InChI
InChI=1S/C13H25NO7/c1-13(2,3)21-12(17)14-4-5-18-6-7-19-8-9-20-10-11(15)16/h4-10H2,1-3H3,(H,14,17)(H,15,16)
InChIKey
IFSMYFLQPDFUOI-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

174
Patents

307.16312 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.17040 171.1
[M+Na]+ 330.15234 174.2
[M-H]- 306.15584 168.9
[M+NH4]+ 325.19694 184.8
[M+K]+ 346.12628 175.3
[M+H-H2O]+ 290.16038 164.7
[M+HCOO]- 352.16132 190.6
[M+CH3COO]- 366.17697 203.1
[M+Na-2H]- 328.13779 173.3
[M]+ 307.16257 179.0
[M]- 307.16367 179.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe