CID 13828389

N-butyl-2-chloropropanamide

Structural Information

Molecular Formula
C7H14ClNO
SMILES
CCCCNC(=O)C(C)Cl
InChI
InChI=1S/C7H14ClNO/c1-3-4-5-9-7(10)6(2)8/h6H,3-5H2,1-2H3,(H,9,10)
InChIKey
JDRABRLBYCLUHX-UHFFFAOYSA-N
Compound name
N-butyl-2-chloropropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

163.07639 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.083666 136.2
[M+Na]+ 186.065608 142.8
[M-H]- 162.069114 136.3
[M+NH4]+ 181.110213 157.5
[M+K]+ 202.039548 140.8
[M+H-H2O]+ 146.073650 132.3
[M+HCOO]- 208.074591 154.6
[M+CH3COO]- 222.090241 180.9
[M+Na-2H]- 184.051056 139.9
[M]+ 163.07584142 138.2
[M]- 163.07693858 138.2
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