CID 9589287

Brn 4244742

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]+ 192.07858 141.5
[M+Na]+ 214.06052 148.4
[M-H]- 190.06402 143.2
[M+NH4]+ 209.10512 162.5
[M+K]+ 230.03446 147.4
[M+H-H2O]+ 174.06856 137.3
[M+HCOO]- 236.06950 160.8
[M+CH3COO]- 250.08515 187.8
[M+Na-2H]- 212.04597 144.2
[M]+ 191.07075 146.0
[M]- 191.07185 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.