CID 44144791

2-propanol, 1-(dimethylamino)-3-[(2-ethylhexyl)oxy]-

Structural Information

Molecular Formula
C13H29NO2
SMILES
CCCCC(CC)COCC(CN(C)C)O
InChI
InChI=1S/C13H29NO2/c1-5-7-8-12(6-2)10-16-11-13(15)9-14(3)4/h12-13,15H,5-11H2,1-4H3
InChIKey
GZNYCROFCICNNW-UHFFFAOYSA-N
Compound name
1-(dimethylamino)-3-(2-ethylhexoxy)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

231.21983 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.22711 163.1
[M+Na]+ 254.20905 165.8
[M-H]- 230.21255 162.2
[M+NH4]+ 249.25365 180.8
[M+K]+ 270.18299 166.1
[M+H-H2O]+ 214.21709 156.8
[M+HCOO]- 276.21803 183.0
[M+CH3COO]- 290.23368 199.6
[M+Na-2H]- 252.19450 162.7
[M]+ 231.21928 167.1
[M]- 231.22038 167.1
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.