CID 121489

3-oxetanemethylamine, n,n-diethyl-3-((o-tolyloxy)methyl)-, maleate

Structural Information

Molecular Formula
C16H25NO2
SMILES
CCN(CC)CC1(COC1)COC2=CC=CC=C2C
InChI
InChI=1S/C16H25NO2/c1-4-17(5-2)10-16(11-18-12-16)13-19-15-9-7-6-8-14(15)3/h6-9H,4-5,10-13H2,1-3H3
InChIKey
ZQJFHPMEALSFBE-UHFFFAOYSA-N
Compound name
N-ethyl-N-[[3-[(2-methylphenoxy)methyl]oxetan-3-yl]methyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.18854 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.195816 162.6
[M+Na]+ 286.177758 166.4
[M-H]- 262.181264 170.5
[M+NH4]+ 281.222363 173.8
[M+K]+ 302.151698 169.5
[M+H-H2O]+ 246.185800 150.4
[M+HCOO]- 308.186741 184.0
[M+CH3COO]- 322.202391 206.2
[M+Na-2H]- 284.163206 167.4
[M]+ 263.18799142 175.2
[M]- 263.18908858 175.2
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.