CID 26937

Clobutinol

Structural Information

Molecular Formula
C14H22ClNO
SMILES
CC(CN(C)C)C(C)(CC1=CC=C(C=C1)Cl)O
InChI
InChI=1S/C14H22ClNO/c1-11(10-16(3)4)14(2,17)9-12-5-7-13(15)8-6-12/h5-8,11,17H,9-10H2,1-4H3
InChIKey
KVHHQGIIZCJATJ-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-4-(dimethylamino)-2,3-dimethylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

56
References

2010
Patents

255.13899 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.14627 160.8
[M+Na]+ 278.12821 172.2
[M+NH4]+ 273.17281 169.0
[M+K]+ 294.10215 166.0
[M-H]- 254.13171 162.8
[M+Na-2H]- 276.11366 166.5
[M]+ 255.13844 163.3
[M]- 255.13954 163.3
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

patents stripe