CID 3796864

730950-03-5

Structural Information

Molecular Formula
C8H13ClN2O
SMILES
CC(C)C(C)(C#N)NC(=O)CCl
InChI
InChI=1S/C8H13ClN2O/c1-6(2)8(3,5-10)11-7(12)4-9/h6H,4H2,1-3H3,(H,11,12)
InChIKey
VHALIRAGKZTXCA-UHFFFAOYSA-N
Compound name
2-chloro-N-(2-cyano-3-methylbutan-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.07164 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.07892 144.1
[M+Na]+ 211.06086 152.5
[M-H]- 187.06436 145.0
[M+NH4]+ 206.10546 162.5
[M+K]+ 227.03480 150.7
[M+H-H2O]+ 171.06890 133.9
[M+HCOO]- 233.06984 157.9
[M+CH3COO]- 247.08549 197.3
[M+Na-2H]- 209.04631 147.7
[M]+ 188.07109 140.8
[M]- 188.07219 140.8
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.