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]+ 228.114976 152.1
[M+Na]+ 250.096918 159.1
[M-H]- 226.100424 154.1
[M+NH4]+ 245.141523 170.4
[M+K]+ 266.070858 154.3
[M+H-H2O]+ 210.104960 147.2
[M+HCOO]- 272.105901 169.2
[M+CH3COO]- 286.121551 189.9
[M+Na-2H]- 248.082366 157.9
[M]+ 227.10715142 153.8
[M]- 227.10824858 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.