CID 41768

2-((1-methylheptadecyl)amino)ethanol hydrochloride

Structural Information

Molecular Formula
C20H43NO
SMILES
CCCCCCCCCCCCCCCCC(C)NCCO
InChI
InChI=1S/C20H43NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(2)21-18-19-22/h20-22H,3-19H2,1-2H3
InChIKey
OTNLZBOAYTXLIZ-UHFFFAOYSA-N
Compound name
2-(octadecan-2-ylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

313.33447 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.34175 190.2
[M+Na]+ 336.32369 190.0
[M-H]- 312.32719 186.4
[M+NH4]+ 331.36829 204.0
[M+K]+ 352.29763 186.1
[M+H-H2O]+ 296.33173 182.8
[M+HCOO]- 358.33267 208.1
[M+CH3COO]- 372.34832 214.3
[M+Na-2H]- 334.30914 188.2
[M]+ 313.33392 194.9
[M]- 313.33502 194.9
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