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]+ 193.073836 142.1
[M+Na]+ 215.055778 148.6
[M-H]- 191.059284 143.6
[M+NH4]+ 210.100383 162.6
[M+K]+ 231.029718 147.4
[M+H-H2O]+ 175.063820 137.3
[M+HCOO]- 237.064761 163.5
[M+CH3COO]- 251.080411 188.2
[M+Na-2H]- 213.041226 146.5
[M]+ 192.06601142 145.8
[M]- 192.06710858 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.