CID 85847567

1-bromospiro[2.5]octane

Structural Information

Molecular Formula
C8H13Br
SMILES
C1CCC2(CC1)CC2Br
InChI
InChI=1S/C8H13Br/c9-7-6-8(7)4-2-1-3-5-8/h7H,1-6H2
InChIKey
NOWLLYLVAPANJG-UHFFFAOYSA-N
Compound name
2-bromospiro[2.5]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.02007 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.02735 137.3
[M+Na]+ 211.00929 148.9
[M-H]- 187.01279 146.2
[M+NH4]+ 206.05389 158.0
[M+K]+ 226.98323 139.4
[M+H-H2O]+ 171.01733 138.3
[M+HCOO]- 233.01827 155.8
[M+CH3COO]- 247.03392 182.3
[M+Na-2H]- 208.99474 145.7
[M]+ 188.01952 153.0
[M]- 188.02062 153.0
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.