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]+ 188.04729 142.3
[M+Na]+ 210.02923 151.9
[M-H]- 186.03273 141.7
[M+NH4]+ 205.07383 160.4
[M+K]+ 226.00317 148.3
[M+H-H2O]+ 170.03727 132.8
[M+HCOO]- 232.03821 154.8
[M+CH3COO]- 246.05386 189.5
[M+Na-2H]- 208.01468 145.6
[M]+ 187.03946 138.4
[M]- 187.04056 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.