CID 60960377

2-{[(5-amino-2-chlorophenyl)methyl](methyl)amino}ethan-1-ol

Structural Information

Molecular Formula
C10H15ClN2O
SMILES
CN(CCO)CC1=C(C=CC(=C1)N)Cl
InChI
InChI=1S/C10H15ClN2O/c1-13(4-5-14)7-8-6-9(12)2-3-10(8)11/h2-3,6,14H,4-5,7,12H2,1H3
InChIKey
IYAVXYPOCJIRMT-UHFFFAOYSA-N
Compound name
2-[(5-amino-2-chlorophenyl)methyl-methylamino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.0873 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.09458 147.2
[M+Na]+ 237.07652 154.8
[M-H]- 213.08002 150.5
[M+NH4]+ 232.12112 166.3
[M+K]+ 253.05046 151.2
[M+H-H2O]+ 197.08456 141.9
[M+HCOO]- 259.08550 167.5
[M+CH3COO]- 273.10115 192.5
[M+Na-2H]- 235.06197 151.1
[M]+ 214.08675 148.5
[M]- 214.08785 148.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.