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]+ 177.02735 135.8
[M+Na]+ 199.00929 146.5
[M-H]- 175.01279 141.8
[M+NH4]+ 194.05389 161.4
[M+K]+ 214.98323 136.6
[M+H-H2O]+ 159.01733 136.8
[M+HCOO]- 221.01827 156.4
[M+CH3COO]- 235.03392 178.4
[M+Na-2H]- 196.99474 141.0
[M]+ 176.01952 151.7
[M]- 176.02062 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