CID 43244716

2-bromo-n-cycloheptyl-3-methylbutanamide

Structural Information

Molecular Formula
C12H22BrNO
SMILES
CC(C)C(C(=O)NC1CCCCCC1)Br
InChI
InChI=1S/C12H22BrNO/c1-9(2)11(13)12(15)14-10-7-5-3-4-6-8-10/h9-11H,3-8H2,1-2H3,(H,14,15)
InChIKey
NYFYBLMROGEUIQ-UHFFFAOYSA-N
Compound name
2-bromo-N-cycloheptyl-3-methylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.08847 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.09575 155.3
[M+Na]+ 298.07769 158.7
[M-H]- 274.08119 160.7
[M+NH4]+ 293.12229 172.9
[M+K]+ 314.05163 153.3
[M+H-H2O]+ 258.08573 154.6
[M+HCOO]- 320.08667 170.1
[M+CH3COO]- 334.10232 199.7
[M+Na-2H]- 296.06314 156.5
[M]+ 275.08792 164.9
[M]- 275.08902 164.9
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.