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]+ 232.227106 163.1
[M+Na]+ 254.209048 165.8
[M-H]- 230.212554 162.2
[M+NH4]+ 249.253653 180.8
[M+K]+ 270.182988 166.1
[M+H-H2O]+ 214.217090 156.8
[M+HCOO]- 276.218031 183.0
[M+CH3COO]- 290.233681 199.6
[M+Na-2H]- 252.194496 162.7
[M]+ 231.21928142 167.1
[M]- 231.22037858 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.