CID 5028641

3-({[2-(dimethylamino)ethyl]amino}methyl)phenol dihydrochloride

Structural Information

Molecular Formula
C11H18N2O
SMILES
CN(C)CCNCC1=CC(=CC=C1)O
InChI
InChI=1S/C11H18N2O/c1-13(2)7-6-12-9-10-4-3-5-11(14)8-10/h3-5,8,12,14H,6-7,9H2,1-2H3
InChIKey
VUSLIJKHGUZALY-UHFFFAOYSA-N
Compound name
3-[[2-(dimethylamino)ethylamino]methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.1419 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.149176 144.6
[M+Na]+ 217.131118 150.0
[M-H]- 193.134624 148.1
[M+NH4]+ 212.175723 163.6
[M+K]+ 233.105058 148.6
[M+H-H2O]+ 177.139160 137.9
[M+HCOO]- 239.140101 169.8
[M+CH3COO]- 253.155751 191.2
[M+Na-2H]- 215.116566 150.3
[M]+ 194.14135142 144.9
[M]- 194.14244858 144.9
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.