CID 207308

29632-48-2

Structural Information

Molecular Formula
C17H28NO2
SMILES
CC[N+](C)(CC)CC(COC1=CC=CC=C1C2CC2)O
InChI
InChI=1S/C17H28NO2/c1-4-18(3,5-2)12-15(19)13-20-17-9-7-6-8-16(17)14-10-11-14/h6-9,14-15,19H,4-5,10-13H2,1-3H3/q+1
InChIKey
XIXXTIDYQYCTAI-UHFFFAOYSA-N
Compound name
[3-(2-cyclopropylphenoxy)-2-hydroxypropyl]-diethyl-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.212 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.21928 156.8
[M+Na]+ 301.20122 162.6
[M-H]- 277.20472 163.8
[M+NH4]+ 296.24582 168.1
[M+K]+ 317.17516 154.4
[M+H-H2O]+ 261.20926 152.5
[M+HCOO]- 323.21020 178.0
[M+CH3COO]- 337.22585 200.8
[M+Na-2H]- 299.18667 163.7
[M]+ 278.21145 160.2
[M]- 278.21255 160.2
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.