CID 21149630

1-(hexadecylmethylamino)propan-2-ol

Structural Information

Molecular Formula
C20H43NO
SMILES
CCCCCCCCCCCCCCCCN(C)CC(C)O
InChI
InChI=1S/C20H43NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(3)19-20(2)22/h20,22H,4-19H2,1-3H3
InChIKey
MHDNDXQXNNAQTO-UHFFFAOYSA-N
Compound name
1-[hexadecyl(methyl)amino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.33447 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.341746 191.4
[M+Na]+ 336.323688 191.4
[M-H]- 312.327194 189.0
[M+NH4]+ 331.368293 205.8
[M+K]+ 352.297628 188.8
[M+H-H2O]+ 296.331730 183.8
[M+HCOO]- 358.332671 209.7
[M+CH3COO]- 372.348321 217.7
[M+Na-2H]- 334.309136 188.5
[M]+ 313.33392142 197.2
[M]- 313.33501858 197.2
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.