CID 5354350

Placidyl carbamate

Structural Information

Molecular Formula
C8H10ClNO2
SMILES
CCC(/C=C/Cl)(C#C)OC(=O)N
InChI
InChI=1S/C8H10ClNO2/c1-3-8(4-2,5-6-9)12-7(10)11/h1,5-6H,4H2,2H3,(H2,10,11)/b6-5+
InChIKey
FCCBKWLMYXVTGQ-AATRIKPKSA-N
Compound name
[(E)-1-chloro-3-ethylpent-1-en-4-yn-3-yl] carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.04001 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.047286 142.3
[M+Na]+ 210.029228 151.9
[M-H]- 186.032734 141.7
[M+NH4]+ 205.073833 160.4
[M+K]+ 226.003168 148.3
[M+H-H2O]+ 170.037270 132.8
[M+HCOO]- 232.038211 154.8
[M+CH3COO]- 246.053861 189.5
[M+Na-2H]- 208.014676 145.6
[M]+ 187.03946142 138.4
[M]- 187.04055858 138.4
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.