CID 139026439

1-chloro-3-[methyl(naphthalen-1-yl)amino]propan-2-ol

Structural Information

Molecular Formula
C14H16ClNO
SMILES
CN(CC(CCl)O)C1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C14H16ClNO/c1-16(10-12(17)9-15)14-8-4-6-11-5-2-3-7-13(11)14/h2-8,12,17H,9-10H2,1H3
InChIKey
GXDCHEFXHPSOPS-UHFFFAOYSA-N
Compound name
1-chloro-3-[methyl(naphthalen-1-yl)amino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.09204 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.099316 154.9
[M+Na]+ 272.081258 161.9
[M-H]- 248.084764 159.0
[M+NH4]+ 267.125863 173.8
[M+K]+ 288.055198 157.5
[M+H-H2O]+ 232.089300 149.1
[M+HCOO]- 294.090241 172.5
[M+CH3COO]- 308.105891 197.2
[M+Na-2H]- 270.066706 160.4
[M]+ 249.09149142 157.5
[M]- 249.09258858 157.5
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.