CID 199024

H.c. 6015

Structural Information

Molecular Formula
C17H28NO2
SMILES
CC[N+](C)(CC)CC1(COC1)COC2=CC=CC=C2C
InChI
InChI=1S/C17H28NO2/c1-5-18(4,6-2)11-17(12-19-13-17)14-20-16-10-8-7-9-15(16)3/h7-10H,5-6,11-14H2,1-4H3/q+1
InChIKey
QMDXCZZYKHKANZ-UHFFFAOYSA-N
Compound name
diethyl-methyl-[[3-[(2-methylphenoxy)methyl]oxetan-3-yl]methyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.212 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.21928 163.7
[M+Na]+ 301.20122 167.6
[M-H]- 277.20472 171.8
[M+NH4]+ 296.24582 174.5
[M+K]+ 317.17516 164.9
[M+H-H2O]+ 261.20926 154.7
[M+HCOO]- 323.21020 183.8
[M+CH3COO]- 337.22585 202.3
[M+Na-2H]- 299.18667 172.5
[M]+ 278.21145 175.1
[M]- 278.21255 175.1
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

No patent data available for this compound.