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]+ 235.180496 155.8
[M+Na]+ 257.162438 160.7
[M-H]- 233.165944 159.2
[M+NH4]+ 252.207043 173.1
[M+K]+ 273.136378 156.9
[M+H-H2O]+ 217.170480 148.0
[M+HCOO]- 279.171421 176.5
[M+CH3COO]- 293.187071 191.8
[M+Na-2H]- 255.147886 157.9
[M]+ 234.17267142 152.9
[M]- 234.17376858 152.9
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.