CID 154809650

4-(2-bromoethyl)spiro[2.4]heptane

Structural Information

Molecular Formula
C9H15Br
SMILES
C1CC(C2(C1)CC2)CCBr
InChI
InChI=1S/C9H15Br/c10-7-3-8-2-1-4-9(8)5-6-9/h8H,1-7H2
InChIKey
KVXHHCCNRHFHIH-UHFFFAOYSA-N
Compound name
7-(2-bromoethyl)spiro[2.4]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.0357 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.042976 142.8
[M+Na]+ 225.024918 155.2
[M-H]- 201.028424 151.7
[M+NH4]+ 220.069523 164.7
[M+K]+ 240.998858 144.9
[M+H-H2O]+ 185.032960 143.9
[M+HCOO]- 247.033901 162.8
[M+CH3COO]- 261.049551 184.8
[M+Na-2H]- 223.010366 149.5
[M]+ 202.03515142 160.6
[M]- 202.03624858 160.6
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.