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]+ 248.064446 154.0
[M+Na]+ 270.046388 162.9
[M-H]- 246.049894 159.6
[M+NH4]+ 265.090993 178.1
[M+K]+ 286.020328 152.6
[M+H-H2O]+ 230.054430 155.0
[M+HCOO]- 292.055371 172.4
[M+CH3COO]- 306.071021 190.5
[M+Na-2H]- 268.031836 159.2
[M]+ 247.05662142 169.7
[M]- 247.05771858 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.