CID 5747559

171199-20-5

Structural Information

Molecular Formula
C6H11ClN2O2
SMILES
CC/C(=N/OC(=O)NCC)/Cl
InChI
InChI=1S/C6H11ClN2O2/c1-3-5(7)9-11-6(10)8-4-2/h3-4H2,1-2H3,(H,8,10)/b9-5-
InChIKey
CSLRKKNEHQDECF-UITAMQMPSA-N
Compound name
[(Z)-1-chloropropylideneamino] N-ethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.0509 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.058176 137.4
[M+Na]+ 201.040118 144.4
[M-H]- 177.043624 139.1
[M+NH4]+ 196.084723 158.5
[M+K]+ 217.014058 143.4
[M+H-H2O]+ 161.048160 132.8
[M+HCOO]- 223.049101 159.2
[M+CH3COO]- 237.064751 185.1
[M+Na-2H]- 199.025566 142.3
[M]+ 178.05035142 140.7
[M]- 178.05144858 140.7
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.