CID 16227012

2-chloro-n-(1,1-dimethylpropyl)acetamide

Structural Information

Molecular Formula
C7H14ClNO
SMILES
CCC(C)(C)NC(=O)CCl
InChI
InChI=1S/C7H14ClNO/c1-4-7(2,3)9-6(10)5-8/h4-5H2,1-3H3,(H,9,10)
InChIKey
PYKFVBXCTGQAMW-UHFFFAOYSA-N
Compound name
2-chloro-N-(2-methylbutan-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

163.07639 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.08367 135.2
[M+Na]+ 186.06561 145.0
[M+NH4]+ 181.11021 142.9
[M+K]+ 202.03955 139.8
[M-H]- 162.06911 134.4
[M+Na-2H]- 184.05106 138.8
[M]+ 163.07584 136.4
[M]- 163.07694 136.4
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