CID 9589284

N-(acetyloxy)butanimidoyl chloride

Structural Information

Molecular Formula
C6H10ClNO2
SMILES
CCC/C(=N/OC(=O)C)/Cl
InChI
InChI=1S/C6H10ClNO2/c1-3-4-6(7)8-10-5(2)9/h3-4H2,1-2H3/b8-6-
InChIKey
NRABTMVIESGWIO-VURMDHGXSA-N
Compound name
[(Z)-1-chlorobutylideneamino] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

163.04001 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.04729 132.1
[M+Na]+ 186.02923 140.0
[M-H]- 162.03273 134.0
[M+NH4]+ 181.07383 154.2
[M+K]+ 202.00317 139.1
[M+H-H2O]+ 146.03727 128.2
[M+HCOO]- 208.03821 153.0
[M+CH3COO]- 222.05386 181.0
[M+Na-2H]- 184.01468 137.1
[M]+ 163.03946 136.5
[M]- 163.04056 136.5
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.