CID 102775

2269-21-8

Structural Information

Molecular Formula
C22H47NO2
SMILES
CCCCCCCCCCCCCCCCN(CC(C)O)CC(C)O
InChI
InChI=1S/C22H47NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(19-21(2)24)20-22(3)25/h21-22,24-25H,4-20H2,1-3H3
InChIKey
MNDXNPPBHMRCOA-UHFFFAOYSA-N
Compound name
1-[hexadecyl(2-hydroxypropyl)amino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

96
Patents

357.3607 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.36798 203.9
[M+Na]+ 380.34992 202.4
[M-H]- 356.35342 199.8
[M+NH4]+ 375.39452 215.7
[M+K]+ 396.32386 199.5
[M+H-H2O]+ 340.35796 196.2
[M+HCOO]- 402.35890 219.4
[M+CH3COO]- 416.37455 223.6
[M+Na-2H]- 378.33537 198.3
[M]+ 357.36015 209.4
[M]- 357.36125 209.4
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