CID 9589286

Brn 4244243

Structural Information

Molecular Formula
C7H12ClNO2
SMILES
CCC(=O)O/N=C(/C(C)C)\Cl
InChI
InChI=1S/C7H12ClNO2/c1-4-6(10)11-9-7(8)5(2)3/h5H,4H2,1-3H3/b9-7-
InChIKey
VHDPTURMVSFFOW-CLFYSBASSA-N
Compound name
[(Z)-(1-chloro-2-methylpropylidene)amino] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.05565 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.06293 136.5
[M+Na]+ 200.04487 146.1
[M+NH4]+ 195.08947 143.8
[M+K]+ 216.01881 141.5
[M-H]- 176.04837 135.7
[M+Na-2H]- 198.03032 139.6
[M]+ 177.05510 137.6
[M]- 177.05620 137.6
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.