CID 57963

2-(bis(2-chloroethyl)amino)butyramide monohydrochloride

Structural Information

Molecular Formula
C8H16Cl2N2O
SMILES
CCC(C(=O)N)N(CCCl)CCCl
InChI
InChI=1S/C8H16Cl2N2O/c1-2-7(8(11)13)12(5-3-9)6-4-10/h7H,2-6H2,1H3,(H2,11,13)
InChIKey
ANDCZHYCEUXAIA-UHFFFAOYSA-N
Compound name
2-[bis(2-chloroethyl)amino]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.06396 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.07124 151.3
[M+Na]+ 249.05318 157.2
[M-H]- 225.05668 151.5
[M+NH4]+ 244.09778 170.4
[M+K]+ 265.02712 154.1
[M+H-H2O]+ 209.06122 147.4
[M+HCOO]- 271.06216 165.4
[M+CH3COO]- 285.07781 196.8
[M+Na-2H]- 247.03863 152.1
[M]+ 226.06341 154.3
[M]- 226.06451 154.3
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

No patent data available for this compound.