CID 19177

N,n-bis(2-chloropropyl)amine hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

169.04251 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.04979 135.5
[M+Na]+ 192.03173 142.5
[M-H]- 168.03523 135.0
[M+NH4]+ 187.07633 156.9
[M+K]+ 208.00567 139.1
[M+H-H2O]+ 152.03977 132.7
[M+HCOO]- 214.04071 148.7
[M+CH3COO]- 228.05636 182.4
[M+Na-2H]- 190.01718 139.0
[M]+ 169.04196 137.3
[M]- 169.04306 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

literature stripe

Patent stripe

patents stripe