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

299
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 196.8
[M+Na]+ 385.31625 196.4
[M-H]- 361.31975 192.1
[M+NH4]+ 380.36085 207.3
[M+K]+ 401.29019 187.9
[M+H-H2O]+ 345.32429 192.8
[M+HCOO]- 407.32523 223.3
[M+CH3COO]- 421.34088 210.9
[M+Na-2H]- 383.30170 198.2
[M]+ 362.32648 201.6
[M]- 362.32758 201.6
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