CID 13147232

3-(p-chlorophenoxy)-3-methyl-2-butylamine hydrochloride

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]+ 214.09932 147.2
[M+Na]+ 236.08126 159.3
[M+NH4]+ 231.12586 155.8
[M+K]+ 252.05520 153.2
[M-H]- 212.08476 149.4
[M+Na-2H]- 234.06671 153.6
[M]+ 213.09149 149.9
[M]- 213.09259 149.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.