CID 38872

41457-11-8

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]+ 278.211476 169.5
[M+Na]+ 300.193418 175.6
[M-H]- 276.196924 173.6
[M+NH4]+ 295.238023 181.7
[M+K]+ 316.167358 175.9
[M+H-H2O]+ 260.201460 159.1
[M+HCOO]- 322.202401 186.2
[M+CH3COO]- 336.218051 203.8
[M+Na-2H]- 298.178866 171.4
[M]+ 277.20365142 180.6
[M]- 277.20474858 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.