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]+ 264.19582 162.6
[M+Na]+ 286.17776 166.4
[M-H]- 262.18126 170.5
[M+NH4]+ 281.22236 173.8
[M+K]+ 302.15170 169.5
[M+H-H2O]+ 246.18580 150.4
[M+HCOO]- 308.18674 184.0
[M+CH3COO]- 322.20239 206.2
[M+Na-2H]- 284.16321 167.4
[M]+ 263.18799 175.2
[M]- 263.18909 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.