CID 41760

2,2'-((1-methylundecyl)imino)bisethanol hydrochloride

Structural Information

Molecular Formula
C16H35NO2
SMILES
CCCCCCCCCCC(C)N(CCO)CCO
InChI
InChI=1S/C16H35NO2/c1-3-4-5-6-7-8-9-10-11-16(2)17(12-14-18)13-15-19/h16,18-19H,3-15H2,1-2H3
InChIKey
AFRNHSOIUDXPRQ-UHFFFAOYSA-N
Compound name
2-[dodecan-2-yl(2-hydroxyethyl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
Patents

273.26678 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.27406 176.4
[M+Na]+ 296.25600 177.6
[M-H]- 272.25950 173.4
[M+NH4]+ 291.30060 191.7
[M+K]+ 312.22994 175.7
[M+H-H2O]+ 256.26404 169.6
[M+HCOO]- 318.26498 194.9
[M+CH3COO]- 332.28063 205.1
[M+Na-2H]- 294.24145 175.2
[M]+ 273.26623 180.3
[M]- 273.26733 180.3
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