CID 5747561

171199-21-6

Structural Information

Molecular Formula
C7H13ClN2O2
SMILES
CCC/C(=N/OC(=O)NCC)/Cl
InChI
InChI=1S/C7H13ClN2O2/c1-3-5-6(8)10-12-7(11)9-4-2/h3-5H2,1-2H3,(H,9,11)/b10-6-
InChIKey
ZDGPHHZWPRKYFA-POHAHGRESA-N
Compound name
[(Z)-1-chlorobutylideneamino] N-ethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.06656 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.07384 142.1
[M+Na]+ 215.05578 148.6
[M-H]- 191.05928 143.6
[M+NH4]+ 210.10038 162.6
[M+K]+ 231.02972 147.4
[M+H-H2O]+ 175.06382 137.3
[M+HCOO]- 237.06476 163.5
[M+CH3COO]- 251.08041 188.2
[M+Na-2H]- 213.04123 146.5
[M]+ 192.06601 145.8
[M]- 192.06711 145.8
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.