CID 121489

H.c. 6014

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 163.6
[M+Na]+ 286.17776 170.6
[M+NH4]+ 281.22236 169.1
[M+K]+ 302.15170 164.0
[M-H]- 262.18126 166.3
[M+Na-2H]- 284.16321 168.9
[M]+ 263.18799 164.4
[M]- 263.18909 164.4
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.