CID 208943

Etolorex

Structural Information

Molecular Formula
C12H18ClNO
SMILES
CC(C)(CC1=CC=C(C=C1)Cl)NCCO
InChI
InChI=1S/C12H18ClNO/c1-12(2,14-7-8-15)9-10-3-5-11(13)6-4-10/h3-6,14-15H,7-9H2,1-2H3
InChIKey
DDKKBTHTVWQJQX-UHFFFAOYSA-N
Compound name
2-[[1-(4-chlorophenyl)-2-methylpropan-2-yl]amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

98
Patents

227.1077 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.11498 152.1
[M+Na]+ 250.09692 159.1
[M-H]- 226.10042 154.1
[M+NH4]+ 245.14152 170.4
[M+K]+ 266.07086 154.3
[M+H-H2O]+ 210.10496 147.2
[M+HCOO]- 272.10590 169.2
[M+CH3COO]- 286.12155 189.9
[M+Na-2H]- 248.08237 157.9
[M]+ 227.10715 153.8
[M]- 227.10825 153.8
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.