CID 174377

1-propanaminium, 3-(4-formyl-2-methoxyphenoxy)-2-hydroxy-n,n,n-trimethyl-, chloride

Structural Information

Molecular Formula
C14H22NO4
SMILES
C[N+](C)(C)CC(COC1=C(C=C(C=C1)C=O)OC)O
InChI
InChI=1S/C14H22NO4/c1-15(2,3)8-12(17)10-19-13-6-5-11(9-16)7-14(13)18-4/h5-7,9,12,17H,8,10H2,1-4H3/q+1
InChIKey
OZQFIVCRNDTRIY-UHFFFAOYSA-N
Compound name
[3-(4-formyl-2-methoxyphenoxy)-2-hydroxypropyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

268.15488 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.16216 160.3
[M+Na]+ 291.14410 166.5
[M-H]- 267.14760 164.2
[M+NH4]+ 286.18870 176.7
[M+K]+ 307.11804 160.1
[M+H-H2O]+ 251.15214 156.8
[M+HCOO]- 313.15308 182.2
[M+CH3COO]- 327.16873 194.9
[M+Na-2H]- 289.12955 167.0
[M]+ 268.15433 164.1
[M]- 268.15543 164.1
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