CID 3067046

80762-86-3

Structural Information

Molecular Formula
C23H49NO2
SMILES
CCCCCCCCCCCCCCCCOCC(CNC(C)(C)C)O
InChI
InChI=1S/C23H49NO2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26-21-22(25)20-24-23(2,3)4/h22,24-25H,5-21H2,1-4H3
InChIKey
KORGLZZAMBFEJH-UHFFFAOYSA-N
Compound name
1-(tert-butylamino)-3-hexadecoxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.37634 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.38362 206.7
[M+Na]+ 394.36556 205.8
[M-H]- 370.36906 202.6
[M+NH4]+ 389.41016 218.3
[M+K]+ 410.33950 202.1
[M+H-H2O]+ 354.37360 199.3
[M+HCOO]- 416.37454 222.3
[M+CH3COO]- 430.39019 224.8
[M+Na-2H]- 392.35101 204.0
[M]+ 371.37579 213.4
[M]- 371.37689 213.4
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.