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]+ 215.094576 147.2
[M+Na]+ 237.076518 154.8
[M-H]- 213.080024 150.5
[M+NH4]+ 232.121123 166.3
[M+K]+ 253.050458 151.2
[M+H-H2O]+ 197.084560 141.9
[M+HCOO]- 259.085501 167.5
[M+CH3COO]- 273.101151 192.5
[M+Na-2H]- 235.061966 151.1
[M]+ 214.08675142 148.5
[M]- 214.08784858 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.