CID 2386163

2-chloro-n,n-bis(2-cyanoethyl)acetamide

Structural Information

Molecular Formula
C8H10ClN3O
SMILES
C(CN(CCC#N)C(=O)CCl)C#N
InChI
InChI=1S/C8H10ClN3O/c9-7-8(13)12(5-1-3-10)6-2-4-11/h1-2,5-7H2
InChIKey
ORVDFMDHUPJELP-UHFFFAOYSA-N
Compound name
2-chloro-N,N-bis(2-cyanoethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

199.05124 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.058516 150.5
[M+Na]+ 222.040458 159.2
[M-H]- 198.043964 153.3
[M+NH4]+ 217.085063 164.0
[M+K]+ 238.014398 157.4
[M+H-H2O]+ 182.048500 136.4
[M+HCOO]- 244.049441 160.9
[M+CH3COO]- 258.065091 219.2
[M+Na-2H]- 220.025906 152.2
[M]+ 199.05069142 145.3
[M]- 199.05178858 145.3
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