CID 38874

41457-12-9

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]+ 292.227096 173.2
[M+Na]+ 314.209038 179.8
[M-H]- 290.212544 177.5
[M+NH4]+ 309.253643 185.2
[M+K]+ 330.182978 179.9
[M+H-H2O]+ 274.217080 163.0
[M+HCOO]- 336.218021 189.6
[M+CH3COO]- 350.233671 207.9
[M+Na-2H]- 312.194486 174.0
[M]+ 291.21927142 185.1
[M]- 291.22036858 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.