CID 38872

1-azetidineethanol, alpha-((2-methylphenoxy)methyl)-2,2,4,4-tetramethyl-, hydrochloride

Structural Information

Molecular Formula
C17H27NO2
SMILES
CC1=CC=CC=C1OCC(CN2C(CC2(C)C)(C)C)O
InChI
InChI=1S/C17H27NO2/c1-13-8-6-7-9-15(13)20-11-14(19)10-18-16(2,3)12-17(18,4)5/h6-9,14,19H,10-12H2,1-5H3
InChIKey
JTCIJNVXRDDFBS-UHFFFAOYSA-N
Compound name
1-(2-methylphenoxy)-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

277.2042 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.21148 167.4
[M+Na]+ 300.19342 174.7
[M+NH4]+ 295.23802 173.3
[M+K]+ 316.16736 166.9
[M-H]- 276.19692 166.9
[M+Na-2H]- 298.17887 172.8
[M]+ 277.20365 167.5
[M]- 277.20475 167.5
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.