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]+ 276.19582 165.1
[M+Na]+ 298.17776 172.4
[M-H]- 274.18126 169.4
[M+NH4]+ 293.22236 185.3
[M+K]+ 314.15170 169.3
[M+H-H2O]+ 258.18580 158.9
[M+HCOO]- 320.18674 184.7
[M+CH3COO]- 334.20239 197.7
[M+Na-2H]- 296.16321 167.6
[M]+ 275.18799 167.1
[M]- 275.18909 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.