CID 121485

H.c. 6003

Structural Information

Molecular Formula
C16H26NO2
SMILES
CC[N+](C)(CC)CC1(COC1)COC2=CC=CC=C2
InChI
InChI=1S/C16H26NO2/c1-4-17(3,5-2)11-16(12-18-13-16)14-19-15-9-7-6-8-10-15/h6-10H,4-5,11-14H2,1-3H3/q+1
InChIKey
URYWCUMIUZKKEB-UHFFFAOYSA-N
Compound name
diethyl-methyl-[[3-(phenoxymethyl)oxetan-3-yl]methyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.19635 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.20363 159.1
[M+Na]+ 287.18557 162.5
[M-H]- 263.18907 167.0
[M+NH4]+ 282.23017 170.2
[M+K]+ 303.15951 160.1
[M+H-H2O]+ 247.19361 150.1
[M+HCOO]- 309.19455 179.6
[M+CH3COO]- 323.21020 198.4
[M+Na-2H]- 285.17102 169.1
[M]+ 264.19580 169.8
[M]- 264.19690 169.8
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.