CID 17206875

[(3,4-dichlorophenyl)methyl](3-methylbutyl)amine

Structural Information

Molecular Formula
C12H17Cl2N
SMILES
CC(C)CCNCC1=CC(=C(C=C1)Cl)Cl
InChI
InChI=1S/C12H17Cl2N/c1-9(2)5-6-15-8-10-3-4-11(13)12(14)7-10/h3-4,7,9,15H,5-6,8H2,1-2H3
InChIKey
MGPARZLCQFPJOU-UHFFFAOYSA-N
Compound name
N-[(3,4-dichlorophenyl)methyl]-3-methylbutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

245.0738 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.08108 154.4
[M+Na]+ 268.06302 162.5
[M-H]- 244.06652 157.1
[M+NH4]+ 263.10762 173.3
[M+K]+ 284.03696 156.6
[M+H-H2O]+ 228.07106 150.0
[M+HCOO]- 290.07200 168.3
[M+CH3COO]- 304.08765 196.7
[M+Na-2H]- 266.04847 157.3
[M]+ 245.07325 157.8
[M]- 245.07435 157.8
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.