CID 30281

Benzyl alcohol, 2-(2-(dimethylamino)ethoxy)-alpha-ethyl-, hydrochloride

Structural Information

Molecular Formula
C13H21NO2
SMILES
CCC(C1=CC=CC=C1OCCN(C)C)O
InChI
InChI=1S/C13H21NO2/c1-4-12(15)11-7-5-6-8-13(11)16-10-9-14(2)3/h5-8,12,15H,4,9-10H2,1-3H3
InChIKey
LCCQISKXGIJQAX-UHFFFAOYSA-N
Compound name
1-[2-[2-(dimethylamino)ethoxy]phenyl]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.15723 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.164506 153.6
[M+Na]+ 246.146448 158.7
[M-H]- 222.149954 156.8
[M+NH4]+ 241.191053 171.6
[M+K]+ 262.120388 157.8
[M+H-H2O]+ 206.154490 146.8
[M+HCOO]- 268.155431 176.3
[M+CH3COO]- 282.171081 195.1
[M+Na-2H]- 244.131896 156.6
[M]+ 223.15668142 156.1
[M]- 223.15777858 156.1
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.