CID 4592518

N-tert-butyl-4-chlorobutanamide

Structural Information

Molecular Formula
C8H16ClNO
SMILES
CC(C)(C)NC(=O)CCCCl
InChI
InChI=1S/C8H16ClNO/c1-8(2,3)10-7(11)5-4-6-9/h4-6H2,1-3H3,(H,10,11)
InChIKey
QCDJWWBIBDDMEE-UHFFFAOYSA-N
Compound name
N-tert-butyl-4-chlorobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

177.09204 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.099316 140.5
[M+Na]+ 200.081258 147.6
[M-H]- 176.084764 140.8
[M+NH4]+ 195.125863 161.7
[M+K]+ 216.055198 145.2
[M+H-H2O]+ 160.089300 137.0
[M+HCOO]- 222.090241 158.2
[M+CH3COO]- 236.105891 182.7
[M+Na-2H]- 198.066706 145.7
[M]+ 177.09149142 143.0
[M]- 177.09258858 143.0
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