CID 5747563

Brn 4859465

Structural Information

Molecular Formula
C6H11ClN2O2
SMILES
CCC/C(=N/OC(=O)NC)/Cl
InChI
InChI=1S/C6H11ClN2O2/c1-3-4-5(7)9-11-6(10)8-2/h3-4H2,1-2H3,(H,8,10)/b9-5-
InChIKey
HCEDGLMUPDFJEM-UITAMQMPSA-N
Compound name
[(Z)-1-chlorobutylideneamino] N-methylcarbamate
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]+ 179.05818 137.4
[M+Na]+ 201.04012 144.4
[M-H]- 177.04362 139.1
[M+NH4]+ 196.08472 158.5
[M+K]+ 217.01406 143.4
[M+H-H2O]+ 161.04816 132.8
[M+HCOO]- 223.04910 159.2
[M+CH3COO]- 237.06475 185.1
[M+Na-2H]- 199.02557 142.3
[M]+ 178.05035 140.7
[M]- 178.05145 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.