CID 170854506

Dtxsid501353184

Structural Information

Molecular Formula
C17H35NO5
SMILES
CC(C)(C)CCCCCC(=O)OCC(CN(CCO)CCO)O
InChI
InChI=1S/C17H35NO5/c1-17(2,3)8-6-4-5-7-16(22)23-14-15(21)13-18(9-11-19)10-12-20/h15,19-21H,4-14H2,1-3H3
InChIKey
NTTJQQODZOEKSS-UHFFFAOYSA-N
Compound name
[3-[bis(2-hydroxyethyl)amino]-2-hydroxypropyl] 7,7-dimethyloctanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

333.25153 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.25881 187.1
[M+Na]+ 356.24075 187.8
[M-H]- 332.24425 182.8
[M+NH4]+ 351.28535 199.1
[M+K]+ 372.21469 187.0
[M+H-H2O]+ 316.24879 180.7
[M+HCOO]- 378.24973 202.1
[M+CH3COO]- 392.26538 210.7
[M+Na-2H]- 354.22620 185.0
[M]+ 333.25098 191.7
[M]- 333.25208 191.7
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.