CID 59131843

1-bromo-3-ethylcyclopentane

Structural Information

Molecular Formula
C7H13Br
SMILES
CCC1CCC(C1)Br
InChI
InChI=1S/C7H13Br/c1-2-6-3-4-7(8)5-6/h6-7H,2-5H2,1H3
InChIKey
PYOOXGSOOVLRFO-UHFFFAOYSA-N
Compound name
1-bromo-3-ethylcyclopentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

176.02007 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.027346 135.8
[M+Na]+ 199.009288 146.5
[M-H]- 175.012794 141.8
[M+NH4]+ 194.053893 161.4
[M+K]+ 214.983228 136.6
[M+H-H2O]+ 159.017330 136.8
[M+HCOO]- 221.018271 156.4
[M+CH3COO]- 235.033921 178.4
[M+Na-2H]- 196.994736 141.0
[M]+ 176.01952142 151.7
[M]- 176.02061858 151.7
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

patents stripe