CID 452647

Cp-73

Structural Information

Molecular Formula
C22H47NO3
SMILES
CCCCCCCCCCCCCCCCOCC(N(C)CCO)OC
InChI
InChI=1S/C22H47NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26-21-22(25-3)23(2)18-19-24/h22,24H,4-21H2,1-3H3
InChIKey
WTSZKKXVHNOCFX-UHFFFAOYSA-N
Compound name
2-[(2-hexadecoxy-1-methoxyethyl)-methylamino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

373.3556 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.36288 205.5
[M+Na]+ 396.34482 204.6
[M-H]- 372.34832 202.7
[M+NH4]+ 391.38942 217.4
[M+K]+ 412.31876 202.6
[M+H-H2O]+ 356.35286 197.1
[M+HCOO]- 418.35380 223.7
[M+CH3COO]- 432.36945 227.2
[M+Na-2H]- 394.33027 201.8
[M]+ 373.35505 215.1
[M]- 373.35615 215.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.