CID 38874

1-azetidineethanol, alpha-((2,6-dimethylphenoxy)methyl)-2,2,4,4-tetramethyl-, hydrochloride

Structural Information

Molecular Formula
C18H29NO2
SMILES
CC1=C(C(=CC=C1)C)OCC(CN2C(CC2(C)C)(C)C)O
InChI
InChI=1S/C18H29NO2/c1-13-8-7-9-14(2)16(13)21-11-15(20)10-19-17(3,4)12-18(19,5)6/h7-9,15,20H,10-12H2,1-6H3
InChIKey
CFIRVZJHFYQYGS-UHFFFAOYSA-N
Compound name
1-(2,6-dimethylphenoxy)-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

291.21982 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.22710 173.2
[M+Na]+ 314.20904 179.8
[M-H]- 290.21254 177.5
[M+NH4]+ 309.25364 185.2
[M+K]+ 330.18298 179.9
[M+H-H2O]+ 274.21708 163.0
[M+HCOO]- 336.21802 189.6
[M+CH3COO]- 350.23367 207.9
[M+Na-2H]- 312.19449 174.0
[M]+ 291.21927 185.1
[M]- 291.22037 185.1
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.