CID 24704184

2-bromo-3-methyl-n-(2-methylcyclohexyl)butanamide

Structural Information

Molecular Formula
C12H22BrNO
SMILES
CC1CCCCC1NC(=O)C(C(C)C)Br
InChI
InChI=1S/C12H22BrNO/c1-8(2)11(13)12(15)14-10-7-5-4-6-9(10)3/h8-11H,4-7H2,1-3H3,(H,14,15)
InChIKey
WEOVVBCNLWNKKA-UHFFFAOYSA-N
Compound name
2-bromo-3-methyl-N-(2-methylcyclohexyl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.08847 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.09575 162.2
[M+Na]+ 298.07769 168.1
[M-H]- 274.08119 166.9
[M+NH4]+ 293.12229 181.3
[M+K]+ 314.05163 157.7
[M+H-H2O]+ 258.08573 161.3
[M+HCOO]- 320.08667 177.3
[M+CH3COO]- 334.10232 199.9
[M+Na-2H]- 296.06314 162.5
[M]+ 275.08792 175.8
[M]- 275.08902 175.8
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.