CID 59579

102585-32-0

Structural Information

Molecular Formula
C11H18BrNO
SMILES
CC(=O)N(CC(=C)Br)C1CCCCC1
InChI
InChI=1S/C11H18BrNO/c1-9(12)8-13(10(2)14)11-6-4-3-5-7-11/h11H,1,3-8H2,2H3
InChIKey
GJHFCBPJJAPYAT-UHFFFAOYSA-N
Compound name
N-(2-bromoprop-2-enyl)-N-cyclohexylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.0572 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.06448 155.8
[M+Na]+ 282.04642 162.0
[M-H]- 258.04992 161.8
[M+NH4]+ 277.09102 175.9
[M+K]+ 298.02036 152.3
[M+H-H2O]+ 242.05446 154.9
[M+HCOO]- 304.05540 173.0
[M+CH3COO]- 318.07105 197.6
[M+Na-2H]- 280.03187 157.9
[M]+ 259.05665 169.9
[M]- 259.05775 169.9
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.