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

literature stripe

Patent stripe

patents stripe