CID 24691712

2-bromo-n-cyclopentyl-3-methylbutanamide

Structural Information

Molecular Formula
C10H18BrNO
SMILES
CC(C)C(C(=O)NC1CCCC1)Br
InChI
InChI=1S/C10H18BrNO/c1-7(2)9(11)10(13)12-8-5-3-4-6-8/h7-9H,3-6H2,1-2H3,(H,12,13)
InChIKey
WJGPMEBCUHKVLX-UHFFFAOYSA-N
Compound name
2-bromo-N-cyclopentyl-3-methylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.05717 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.06445 157.9
[M+Na]+ 270.04639 164.8
[M-H]- 246.04989 163.0
[M+NH4]+ 265.09099 179.6
[M+K]+ 286.02033 154.9
[M+H-H2O]+ 230.05443 157.1
[M+HCOO]- 292.05537 175.7
[M+CH3COO]- 306.07102 192.9
[M+Na-2H]- 268.03184 158.5
[M]+ 247.05662 172.3
[M]- 247.05772 172.3
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.