CID 218987

41457-03-8

Structural Information

Molecular Formula
C18H27NO2
SMILES
CC1=CC(=CC=C1)OCC(CN2C(C=CC2(C)C)(C)C)O
InChI
InChI=1S/C18H27NO2/c1-14-7-6-8-16(11-14)21-13-15(20)12-19-17(2,3)9-10-18(19,4)5/h6-11,15,20H,12-13H2,1-5H3
InChIKey
JVESSOBPRZLHES-UHFFFAOYSA-N
Compound name
1-(3-methylphenoxy)-3-(2,2,5,5-tetramethylpyrrol-1-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

289.2042 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.21148 169.5
[M+Na]+ 312.19342 181.0
[M+NH4]+ 307.23802 179.6
[M+K]+ 328.16736 172.6
[M-H]- 288.19692 171.9
[M+Na-2H]- 310.17887 177.7
[M]+ 289.20365 172.1
[M]- 289.20475 172.1
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

patents stripe