CID 48127

66839-97-2

Structural Information

Molecular Formula
C17H19NO
SMILES
C1CCN(C1)CC2=C(C=CC(=C2)C3=CC=CC=C3)O
InChI
InChI=1S/C17H19NO/c19-17-9-8-15(14-6-2-1-3-7-14)12-16(17)13-18-10-4-5-11-18/h1-3,6-9,12,19H,4-5,10-11,13H2
InChIKey
XQJLHCHLQCZANH-UHFFFAOYSA-N
Compound name
4-phenyl-2-(pyrrolidin-1-ylmethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.14667 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.15395 159.1
[M+Na]+ 276.13589 165.1
[M-H]- 252.13939 165.8
[M+NH4]+ 271.18049 175.5
[M+K]+ 292.10983 159.8
[M+H-H2O]+ 236.14393 150.6
[M+HCOO]- 298.14487 179.2
[M+CH3COO]- 312.16052 170.4
[M+Na-2H]- 274.12134 161.4
[M]+ 253.14612 155.4
[M]- 253.14722 155.4
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.