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]+ 203.04298 142.8
[M+Na]+ 225.02492 155.2
[M-H]- 201.02842 151.7
[M+NH4]+ 220.06952 164.7
[M+K]+ 240.99886 144.9
[M+H-H2O]+ 185.03296 143.9
[M+HCOO]- 247.03390 162.8
[M+CH3COO]- 261.04955 184.8
[M+Na-2H]- 223.01037 149.5
[M]+ 202.03515 160.6
[M]- 202.03625 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.