CID 3060325

77985-08-1

Structural Information

Molecular Formula
C6H13Cl2N
SMILES
CC(C(C)Cl)NCCCl
InChI
InChI=1S/C6H13Cl2N/c1-5(8)6(2)9-4-3-7/h5-6,9H,3-4H2,1-2H3
InChIKey
AQJPBQLXBVUKGX-UHFFFAOYSA-N
Compound name
3-chloro-N-(2-chloroethyl)butan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

169.04251 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.049786 135.5
[M+Na]+ 192.031728 142.5
[M-H]- 168.035234 135.0
[M+NH4]+ 187.076333 156.9
[M+K]+ 208.005668 139.1
[M+H-H2O]+ 152.039770 132.7
[M+HCOO]- 214.040711 148.7
[M+CH3COO]- 228.056361 182.4
[M+Na-2H]- 190.017176 139.0
[M]+ 169.04196142 137.3
[M]- 169.04305858 137.3
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