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]+ 250.09932 154.9
[M+Na]+ 272.08126 161.9
[M-H]- 248.08476 159.0
[M+NH4]+ 267.12586 173.8
[M+K]+ 288.05520 157.5
[M+H-H2O]+ 232.08930 149.1
[M+HCOO]- 294.09024 172.5
[M+CH3COO]- 308.10589 197.2
[M+Na-2H]- 270.06671 160.4
[M]+ 249.09149 157.5
[M]- 249.09259 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.