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

17
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 162.6
[M+Na]+ 293.15975 167.1
[M-H]- 269.16325 164.6
[M+NH4]+ 288.20435 178.0
[M+K]+ 309.13369 160.4
[M+H-H2O]+ 253.16779 158.9
[M+HCOO]- 315.16873 182.8
[M+CH3COO]- 329.18438 192.1
[M+Na-2H]- 291.14520 169.4
[M]+ 270.16998 164.8
[M]- 270.17108 164.8
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.