CID 15437231

2-bromo-n-cyclohexyl-3-methylbutanamide

Structural Information

Molecular Formula
C11H20BrNO
SMILES
CC(C)C(C(=O)NC1CCCCC1)Br
InChI
InChI=1S/C11H20BrNO/c1-8(2)10(12)11(14)13-9-6-4-3-5-7-9/h8-10H,3-7H2,1-2H3,(H,13,14)
InChIKey
ZKRGSPYOITYVDP-UHFFFAOYSA-N
Compound name
2-bromo-N-cyclohexyl-3-methylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.0728 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.08008 158.4
[M+Na]+ 284.06202 163.8
[M-H]- 260.06552 163.0
[M+NH4]+ 279.10662 177.8
[M+K]+ 300.03596 153.7
[M+H-H2O]+ 244.07006 157.5
[M+HCOO]- 306.07100 173.9
[M+CH3COO]- 320.08665 196.0
[M+Na-2H]- 282.04747 159.8
[M]+ 261.07225 171.3
[M]- 261.07335 171.3
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.