CID 3076576

4-chloro-alpha-((2-(dimethylamino)ethoxy)methyl)benzenemethanol hydrochloride

Structural Information

Molecular Formula
C12H18ClNO2
SMILES
CN(C)CCOCC(C1=CC=C(C=C1)Cl)O
InChI
InChI=1S/C12H18ClNO2/c1-14(2)7-8-16-9-12(15)10-3-5-11(13)6-4-10/h3-6,12,15H,7-9H2,1-2H3
InChIKey
DIJCUSJNJISQJJ-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-2-[2-(dimethylamino)ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.1026 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.10988 154.6
[M+Na]+ 266.09182 161.0
[M-H]- 242.09532 157.9
[M+NH4]+ 261.13642 172.7
[M+K]+ 282.06576 158.3
[M+H-H2O]+ 226.09986 148.9
[M+HCOO]- 288.10080 173.2
[M+CH3COO]- 302.11645 195.9
[M+Na-2H]- 264.07727 157.8
[M]+ 243.10205 158.9
[M]- 243.10315 158.9
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.