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]+ 242.13062 155.6
[M+Na]+ 264.11256 162.1
[M-H]- 240.11606 159.1
[M+NH4]+ 259.15716 174.0
[M+K]+ 280.08650 159.0
[M+H-H2O]+ 224.12060 150.6
[M+HCOO]- 286.12154 172.0
[M+CH3COO]- 300.13719 197.2
[M+Na-2H]- 262.09801 159.0
[M]+ 241.12279 158.4
[M]- 241.12389 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.