CID 40665

53207-40-2

Structural Information

Molecular Formula
C13H20ClNO
SMILES
CC(C)(CN(C)C)C(C1=CC=C(C=C1)Cl)O
InChI
InChI=1S/C13H20ClNO/c1-13(2,9-15(3)4)12(16)10-5-7-11(14)8-6-10/h5-8,12,16H,9H2,1-4H3
InChIKey
RLJUAVMAXZAJMY-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-3-(dimethylamino)-2,2-dimethylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.12334 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.130616 155.6
[M+Na]+ 264.112558 162.1
[M-H]- 240.116064 159.1
[M+NH4]+ 259.157163 174.0
[M+K]+ 280.086498 159.0
[M+H-H2O]+ 224.120600 150.6
[M+HCOO]- 286.121541 172.0
[M+CH3COO]- 300.137191 197.2
[M+Na-2H]- 262.098006 159.0
[M]+ 241.12279142 158.4
[M]- 241.12388858 158.4
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.