CID 106344

Bis(2-(2-hydroxyethoxy)ethyl)octylamine

Structural Information

Molecular Formula
C16H35NO4
SMILES
CCCCCCCCN(CCOCCO)CCOCCO
InChI
InChI=1S/C16H35NO4/c1-2-3-4-5-6-7-8-17(9-13-20-15-11-18)10-14-21-16-12-19/h18-19H,2-16H2,1H3
InChIKey
BBLLNWPZRQWZSP-UHFFFAOYSA-N
Compound name
2-[2-[2-(2-hydroxyethoxy)ethyl-octylamino]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

305.25662 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.26390 180.0
[M+Na]+ 328.24584 181.2
[M-H]- 304.24934 176.8
[M+NH4]+ 323.29044 193.9
[M+K]+ 344.21978 179.9
[M+H-H2O]+ 288.25388 172.6
[M+HCOO]- 350.25482 199.9
[M+CH3COO]- 364.27047 208.2
[M+Na-2H]- 326.23129 180.3
[M]+ 305.25607 187.5
[M]- 305.25717 187.5
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