CID 11660330

876345-13-0

Structural Information

Molecular Formula

C₁₅H₂₉NO₈

SMILES

CC(C)(C)OC(=O)NCCOCCOCCOCCOCC(=O)O

InChI

InChI=1S/C15H29NO8/c1-15(2,3)24-14(19)16-4-5-20-6-7-21-8-9-22-10-11-23-12-13(17)18/h4-12H2,1-3H3,(H,16,19)(H,17,18)

InChIKey

SHMYENBXRNPSOG-UHFFFAOYSA-N

Compound name

2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 86
Patents: 351.18933 Da
Monoisotopic Mass: -0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	352.196606	181.6
[M+Na]+	374.178548	183.7
[M-H]-	350.182054	179.0
[M+NH4]+	369.223153	196.4
[M+K]+	390.152488	185.0
[M+H-H2O]+	334.186590	174.6
[M+HCOO]-	396.187531	204.2
[M+CH3COO]-	410.203181	211.1
[M+Na-2H]-	372.163996	183.2
[M]+	351.18878142	191.7
[M]-	351.18987858	191.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe