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]+ 276.095746 162.2
[M+Na]+ 298.077688 168.1
[M-H]- 274.081194 166.9
[M+NH4]+ 293.122293 181.3
[M+K]+ 314.051628 157.7
[M+H-H2O]+ 258.085730 161.3
[M+HCOO]- 320.086671 177.3
[M+CH3COO]- 334.102321 199.9
[M+Na-2H]- 296.063136 162.5
[M]+ 275.08792142 175.8
[M]- 275.08901858 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.