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]+ 200.05852 150.5
[M+Na]+ 222.04046 159.2
[M-H]- 198.04396 153.3
[M+NH4]+ 217.08506 164.0
[M+K]+ 238.01440 157.4
[M+H-H2O]+ 182.04850 136.4
[M+HCOO]- 244.04944 160.9
[M+CH3COO]- 258.06509 219.2
[M+Na-2H]- 220.02591 152.2
[M]+ 199.05069 145.3
[M]- 199.05179 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