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]+ 195.14918 144.6
[M+Na]+ 217.13112 150.0
[M-H]- 193.13462 148.1
[M+NH4]+ 212.17572 163.6
[M+K]+ 233.10506 148.6
[M+H-H2O]+ 177.13916 137.9
[M+HCOO]- 239.14010 169.8
[M+CH3COO]- 253.15575 191.2
[M+Na-2H]- 215.11657 150.3
[M]+ 194.14135 144.9
[M]- 194.14245 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.