CID 299424

Cyclohexanecarboxamide, n-(2-bromoallyl)-

Structural Information

Molecular Formula
C10H16BrNO
SMILES
C=C(CNC(=O)C1CCCCC1)Br
InChI
InChI=1S/C10H16BrNO/c1-8(11)7-12-10(13)9-5-3-2-4-6-9/h9H,1-7H2,(H,12,13)
InChIKey
SLUYDJPXDLADFL-UHFFFAOYSA-N
Compound name
N-(2-bromoprop-2-enyl)cyclohexanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.04153 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.04881 151.7
[M+Na]+ 268.03075 158.1
[M-H]- 244.03425 156.4
[M+NH4]+ 263.07535 171.7
[M+K]+ 284.00469 147.2
[M+H-H2O]+ 228.03879 151.0
[M+HCOO]- 290.03973 168.7
[M+CH3COO]- 304.05538 191.5
[M+Na-2H]- 266.01620 154.9
[M]+ 245.04098 164.3
[M]- 245.04208 164.3
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.