CID 3065831

Ethanol, 2-(diisohexylamino)-, hydrochloride

Structural Information

Molecular Formula
C14H31NO
SMILES
CC(C)CCCN(CCCC(C)C)CCO
InChI
InChI=1S/C14H31NO/c1-13(2)7-5-9-15(11-12-16)10-6-8-14(3)4/h13-14,16H,5-12H2,1-4H3
InChIKey
SVAFEOFEJMPAID-UHFFFAOYSA-N
Compound name
2-[bis(4-methylpentyl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.24057 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.247846 164.8
[M+Na]+ 252.229788 167.1
[M-H]- 228.233294 163.7
[M+NH4]+ 247.274393 182.6
[M+K]+ 268.203728 166.6
[M+H-H2O]+ 212.237830 158.5
[M+HCOO]- 274.238771 184.2
[M+CH3COO]- 288.254421 200.7
[M+Na-2H]- 250.215236 163.8
[M]+ 229.24002142 167.7
[M]- 229.24111858 167.7
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.