CID 9589287

Propanimidoyl chloride, 2-methyl-n-(1-oxobutoxy)-

Structural Information

Molecular Formula
C8H14ClNO2
SMILES
CCCC(=O)O/N=C(/C(C)C)\Cl
InChI
InChI=1S/C8H14ClNO2/c1-4-5-7(11)12-10-8(9)6(2)3/h6H,4-5H2,1-3H3/b10-8-
InChIKey
PYIDXQVIDJUSMP-NTMALXAHSA-N
Compound name
[(Z)-(1-chloro-2-methylpropylidene)amino] butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.0713 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.078576 141.5
[M+Na]+ 214.060518 148.4
[M-H]- 190.064024 143.2
[M+NH4]+ 209.105123 162.5
[M+K]+ 230.034458 147.4
[M+H-H2O]+ 174.068560 137.3
[M+HCOO]- 236.069501 160.8
[M+CH3COO]- 250.085151 187.8
[M+Na-2H]- 212.045966 144.2
[M]+ 191.07075142 146.0
[M]- 191.07184858 146.0
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

No patent data available for this compound.