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 165.7
[M+Na]+ 286.17776 171.4
[M-H]- 262.18126 169.6
[M+NH4]+ 281.22236 178.1
[M+K]+ 302.15170 171.8
[M+H-H2O]+ 246.18580 155.1
[M+HCOO]- 308.18674 182.8
[M+CH3COO]- 322.20239 199.8
[M+Na-2H]- 284.16321 168.7
[M]+ 263.18799 176.1
[M]- 263.18909 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.