CID 5747553

134871-03-7

Structural Information

Molecular Formula
C8H15ClN2O2
SMILES
CC/C(=N/OC(=O)N(CC)CC)/Cl
InChI
InChI=1S/C8H15ClN2O2/c1-4-7(9)10-13-8(12)11(5-2)6-3/h4-6H2,1-3H3/b10-7-
InChIKey
AHWRKXVOKXWPEB-YFHOEESVSA-N
Compound name
[(Z)-1-chloropropylideneamino] N,N-diethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.0822 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.08948 146.5
[M+Na]+ 229.07142 152.9
[M-H]- 205.07492 149.5
[M+NH4]+ 224.11602 167.2
[M+K]+ 245.04536 152.8
[M+H-H2O]+ 189.07946 141.4
[M+HCOO]- 251.08040 168.2
[M+CH3COO]- 265.09605 194.7
[M+Na-2H]- 227.05687 149.7
[M]+ 206.08165 152.0
[M]- 206.08275 152.0
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.