CID 87723

18602-17-0

Structural Information

Molecular Formula
C20H44NO4
SMILES
CCCCCCCCCCCCOCC(C[N+](C)(CCO)CCO)O
InChI
InChI=1S/C20H44NO4/c1-3-4-5-6-7-8-9-10-11-12-17-25-19-20(24)18-21(2,13-15-22)14-16-23/h20,22-24H,3-19H2,1-2H3/q+1
InChIKey
FWMJRRJGTPWUBQ-UHFFFAOYSA-N
Compound name
(3-dodecoxy-2-hydroxypropyl)-bis(2-hydroxyethyl)-methylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

279
Patents

362.32703 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.33431 193.4
[M+Na]+ 385.31625 199.5
[M+NH4]+ 380.36085 197.9
[M+K]+ 401.29019 194.8
[M-H]- 361.31975 191.6
[M+Na-2H]- 383.30170 192.5
[M]+ 362.32648 193.6
[M]- 362.32758 193.6
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