CID 38870

1-azetidineethanol, alpha-(phenoxymethyl)-2,2,4,4-tetramethyl-, 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]+ 264.195816 165.7
[M+Na]+ 286.177758 171.4
[M-H]- 262.181264 169.6
[M+NH4]+ 281.222363 178.1
[M+K]+ 302.151698 171.8
[M+H-H2O]+ 246.185800 155.1
[M+HCOO]- 308.186741 182.8
[M+CH3COO]- 322.202391 199.8
[M+Na-2H]- 284.163206 168.7
[M]+ 263.18799142 176.1
[M]- 263.18908858 176.1
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.