CID 11217413

80864-33-1

Structural Information

Molecular Formula
C6H9Br
SMILES
C1C=CCC1CBr
InChI
InChI=1S/C6H9Br/c7-5-6-3-1-2-4-6/h1-2,6H,3-5H2
InChIKey
ZJJCUBVFAXPMQD-UHFFFAOYSA-N
Compound name
4-(bromomethyl)cyclopentene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

159.98875 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.99603 129.3
[M+Na]+ 182.97797 140.5
[M-H]- 158.98147 135.5
[M+NH4]+ 178.02257 155.3
[M+K]+ 198.95191 130.8
[M+H-H2O]+ 142.98601 130.4
[M+HCOO]- 204.98695 151.6
[M+CH3COO]- 219.00260 174.2
[M+Na-2H]- 180.96342 136.7
[M]+ 159.98820 146.0
[M]- 159.98930 146.0
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