CID 4093617

1-bromo-n-tert-butyl-1-cyclopentanecarboxamide

Structural Information

Molecular Formula
C10H18BrNO
SMILES
CC(C)(C)NC(=O)C1(CCCC1)Br
InChI
InChI=1S/C10H18BrNO/c1-9(2,3)12-8(13)10(11)6-4-5-7-10/h4-7H2,1-3H3,(H,12,13)
InChIKey
NIPLZIHEDZRKSY-UHFFFAOYSA-N
Compound name
1-bromo-N-tert-butylcyclopentane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.05717 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.06445 154.0
[M+Na]+ 270.04639 162.9
[M-H]- 246.04989 159.6
[M+NH4]+ 265.09099 178.1
[M+K]+ 286.02033 152.6
[M+H-H2O]+ 230.05443 155.0
[M+HCOO]- 292.05537 172.4
[M+CH3COO]- 306.07102 190.5
[M+Na-2H]- 268.03184 159.2
[M]+ 247.05662 169.7
[M]- 247.05772 169.7
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.