CID 43179018

4-({[(1-ethylpyrrolidin-2-yl)methyl]amino}methyl)phenol dihydrochloride

Structural Information

Molecular Formula
C14H22N2O
SMILES
CCN1CCCC1CNCC2=CC=C(C=C2)O
InChI
InChI=1S/C14H22N2O/c1-2-16-9-3-4-13(16)11-15-10-12-5-7-14(17)8-6-12/h5-8,13,15,17H,2-4,9-11H2,1H3
InChIKey
ZBQOOGNPIZZOFB-UHFFFAOYSA-N
Compound name
4-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.17322 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.18050 157.0
[M+Na]+ 257.16244 167.3
[M+NH4]+ 252.20704 164.9
[M+K]+ 273.13638 162.1
[M-H]- 233.16594 160.2
[M+Na-2H]- 255.14789 162.7
[M]+ 234.17267 159.1
[M]- 234.17377 159.1
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.