CID 218983

41457-01-6

Structural Information

Molecular Formula
C17H25NO2
SMILES
CC1(C=CC(N1CC(COC2=CC=CC=C2)O)(C)C)C
InChI
InChI=1S/C17H25NO2/c1-16(2)10-11-17(3,4)18(16)12-14(19)13-20-15-8-6-5-7-9-15/h5-11,14,19H,12-13H2,1-4H3
InChIKey
IQRUXQMRHKIFOL-UHFFFAOYSA-N
Compound name
1-phenoxy-3-(2,2,5,5-tetramethylpyrrol-1-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.18854 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.195816 165.1
[M+Na]+ 298.177758 172.4
[M-H]- 274.181264 169.4
[M+NH4]+ 293.222363 185.3
[M+K]+ 314.151698 169.3
[M+H-H2O]+ 258.185800 158.9
[M+HCOO]- 320.186741 184.7
[M+CH3COO]- 334.202391 197.7
[M+Na-2H]- 296.163206 167.6
[M]+ 275.18799142 167.1
[M]- 275.18908858 167.1
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.