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 169.5
[M+Na]+ 300.19342 175.6
[M-H]- 276.19692 173.6
[M+NH4]+ 295.23802 181.7
[M+K]+ 316.16736 175.9
[M+H-H2O]+ 260.20146 159.1
[M+HCOO]- 322.20240 186.2
[M+CH3COO]- 336.21805 203.8
[M+Na-2H]- 298.17887 171.4
[M]+ 277.20365 180.6
[M]- 277.20475 180.6
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.