CID 102347052

1-(bromomethyl)-1-(prop-2-en-1-yl)cyclopentane

Structural Information

Molecular Formula
C9H15Br
SMILES
C=CCC1(CCCC1)CBr
InChI
InChI=1S/C9H15Br/c1-2-5-9(8-10)6-3-4-7-9/h2H,1,3-8H2
InChIKey
SWYBYXKJBKFOLT-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-1-prop-2-enylcyclopentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.0357 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.042976 142.1
[M+Na]+ 225.024918 152.2
[M-H]- 201.028424 147.8
[M+NH4]+ 220.069523 168.2
[M+K]+ 240.998858 141.4
[M+H-H2O]+ 185.032960 143.6
[M+HCOO]- 247.033901 162.3
[M+CH3COO]- 261.049551 181.8
[M+Na-2H]- 223.010366 148.0
[M]+ 202.03515142 158.1
[M]- 202.03624858 158.1
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

No patent data available for this compound.