CID 120068

N-(2-hydroxyhexadecyl)diethanolamine oxide

Structural Information

Molecular Formula
C20H43NO4
SMILES
CCCCCCCCCCCCCCC(C[N+](CCO)(CCO)[O-])O
InChI
InChI=1S/C20H43NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20(24)19-21(25,15-17-22)16-18-23/h20,22-24H,2-19H2,1H3
InChIKey
OQFIKFNCZGUAHE-UHFFFAOYSA-N
Compound name
2-hydroxy-N,N-bis(2-hydroxyethyl)hexadecan-1-amine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

361.3192 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.32648 198.1
[M+Na]+ 384.30842 215.2
[M-H]- 360.31192 201.7
[M+NH4]+ 379.35302 207.2
[M+K]+ 400.28236 188.7
[M+H-H2O]+ 344.31646 196.4
[M+HCOO]- 406.31740 222.1
[M+CH3COO]- 420.33305 207.6
[M+Na-2H]- 382.29387 198.6
[M]+ 361.31865 208.4
[M]- 361.31975 208.4
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

patents stripe