CID 60401

110056-43-4

Structural Information

Molecular Formula
C14H24NO4
SMILES
C[N+](C)(C)CCOC1=CC=C(C=C1)OCC(CO)O
InChI
InChI=1S/C14H24NO4/c1-15(2,3)8-9-18-13-4-6-14(7-5-13)19-11-12(17)10-16/h4-7,12,16-17H,8-11H2,1-3H3/q+1
InChIKey
LNOCMHKCNAYKTI-UHFFFAOYSA-N
Compound name
2-[4-(2,3-dihydroxypropoxy)phenoxy]ethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

270.17053 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.17781 161.0
[M+Na]+ 293.15975 172.2
[M+NH4]+ 288.20435 168.3
[M+K]+ 309.13369 168.3
[M-H]- 269.16325 163.0
[M+Na-2H]- 291.14520 166.3
[M]+ 270.16998 163.3
[M]- 270.17108 163.3
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.