CID 11073725

1-(bromomethyl)cyclopent-1-ene

Structural Information

Molecular Formula
C6H9Br
SMILES
C1CC=C(C1)CBr
InChI
InChI=1S/C6H9Br/c7-5-6-3-1-2-4-6/h3H,1-2,4-5H2
InChIKey
NPTOTGQBAVKSOT-UHFFFAOYSA-N
Compound name
1-(bromomethyl)cyclopentene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

159.98875 Da
Monoisotopic Mass

2.0
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

literature stripe

Patent stripe

patents stripe