CID 172614

70776-71-5

Structural Information

Molecular Formula
C19H42NO4
SMILES
CCCCCCCCCCOCC(C[N+](CC)(CCO)CCO)O
InChI
InChI=1S/C19H42NO4/c1-3-5-6-7-8-9-10-11-16-24-18-19(23)17-20(4-2,12-14-21)13-15-22/h19,21-23H,3-18H2,1-2H3/q+1
InChIKey
GCCMZGXXNPNDAC-UHFFFAOYSA-N
Compound name
(3-decoxy-2-hydroxypropyl)-ethyl-bis(2-hydroxyethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.31137 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.31865 192.4
[M+Na]+ 371.30059 192.4
[M-H]- 347.30409 187.8
[M+NH4]+ 366.34519 203.6
[M+K]+ 387.27453 184.1
[M+H-H2O]+ 331.30863 188.5
[M+HCOO]- 393.30957 219.9
[M+CH3COO]- 407.32522 207.9
[M+Na-2H]- 369.28604 194.2
[M]+ 348.31082 196.7
[M]- 348.31192 196.7
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

No patent data available for this compound.