CID 13147232

88222-09-7

Structural Information

Molecular Formula
C11H16ClNO
SMILES
CC(C(C)(C)OC1=CC=C(C=C1)Cl)N
InChI
InChI=1S/C11H16ClNO/c1-8(13)11(2,3)14-10-6-4-9(12)5-7-10/h4-8H,13H2,1-3H3
InChIKey
NNWGNGNZNPANII-UHFFFAOYSA-N
Compound name
3-(4-chlorophenoxy)-3-methylbutan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.09204 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.099316 147.3
[M+Na]+ 236.081258 154.9
[M-H]- 212.084764 150.5
[M+NH4]+ 231.125863 166.7
[M+K]+ 252.055198 151.5
[M+H-H2O]+ 196.089300 142.6
[M+HCOO]- 258.090241 164.7
[M+CH3COO]- 272.105891 189.7
[M+Na-2H]- 234.066706 151.9
[M]+ 213.09149142 148.9
[M]- 213.09258858 148.9
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.