CID 38870

Alpha-(phenoxymethyl)-2,2,4,4-tetramethyl-1-azetidineethanol hydrochloride

Structural Information

Molecular Formula
C16H25NO2
SMILES
CC1(CC(N1CC(COC2=CC=CC=C2)O)(C)C)C
InChI
InChI=1S/C16H25NO2/c1-15(2)12-16(3,4)17(15)10-13(18)11-19-14-8-6-5-7-9-14/h5-9,13,18H,10-12H2,1-4H3
InChIKey
MDVIYRRFAQMCDA-UHFFFAOYSA-N
Compound name
1-phenoxy-3-(2,2,4,4-tetramethylazetidin-1-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.18854 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.19582 163.2
[M+Na]+ 286.17776 170.3
[M+NH4]+ 281.22236 169.2
[M+K]+ 302.15170 162.5
[M-H]- 262.18126 162.6
[M+Na-2H]- 284.16321 169.0
[M]+ 263.18799 163.2
[M]- 263.18909 163.2
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.