CID 137699064

1996333-35-7

Structural Information

Molecular Formula
C9H13Br
SMILES
C=CCC1(CC=CC1)CBr
InChI
InChI=1S/C9H13Br/c1-2-5-9(8-10)6-3-4-7-9/h2-4H,1,5-8H2
InChIKey
FGMVYLUQUCQQHC-UHFFFAOYSA-N
Compound name
4-(bromomethyl)-4-prop-2-enylcyclopentene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.02007 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.02735 139.5
[M+Na]+ 223.00929 150.6
[M-H]- 199.01279 145.6
[M+NH4]+ 218.05389 165.8
[M+K]+ 238.98323 139.7
[M+H-H2O]+ 183.01733 141.0
[M+HCOO]- 245.01827 161.1
[M+CH3COO]- 259.03392 181.4
[M+Na-2H]- 220.99474 146.5
[M]+ 200.01952 157.0
[M]- 200.02062 157.0
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

No patent data available for this compound.