CID 116235

63905-44-2

Structural Information

Molecular Formula
C8H17Cl2N
SMILES
CC(C)CN(CCCl)CCCl
InChI
InChI=1S/C8H17Cl2N/c1-8(2)7-11(5-3-9)6-4-10/h8H,3-7H2,1-2H3
InChIKey
PFAWYOQBRHIFSI-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)-2-methylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

197.0738 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.08108 144.5
[M+Na]+ 220.06302 151.1
[M-H]- 196.06652 145.1
[M+NH4]+ 215.10762 165.6
[M+K]+ 236.03696 148.1
[M+H-H2O]+ 180.07106 140.9
[M+HCOO]- 242.07200 158.6
[M+CH3COO]- 256.08765 191.0
[M+Na-2H]- 218.04847 147.4
[M]+ 197.07325 149.0
[M]- 197.07435 149.0
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.