CID 14597934

1-(4-chlorophenyl)-4,4-dimethylpentan-3-amine

Structural Information

Molecular Formula
C13H20ClN
SMILES
CC(C)(C)C(CCC1=CC=C(C=C1)Cl)N
InChI
InChI=1S/C13H20ClN/c1-13(2,3)12(15)9-6-10-4-7-11(14)8-5-10/h4-5,7-8,12H,6,9,15H2,1-3H3
InChIKey
ZQWCUAACDYXPHE-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-4,4-dimethylpentan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

225.12843 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.13571 153.8
[M+Na]+ 248.11765 160.7
[M-H]- 224.12115 156.7
[M+NH4]+ 243.16225 172.8
[M+K]+ 264.09159 156.2
[M+H-H2O]+ 208.12569 148.9
[M+HCOO]- 270.12663 170.3
[M+CH3COO]- 284.14228 193.1
[M+Na-2H]- 246.10310 157.2
[M]+ 225.12788 154.6
[M]- 225.12898 154.6
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

patents stripe