CID 121207793

5-(bromomethyl)spiro[2.3]hexane

Structural Information

Molecular Formula
C7H11Br
SMILES
C1CC12CC(C2)CBr
InChI
InChI=1S/C7H11Br/c8-5-6-3-7(4-6)1-2-7/h6H,1-5H2
InChIKey
DJGXLDULLPOTAL-UHFFFAOYSA-N
Compound name
5-(bromomethyl)spiro[2.3]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

174.00441 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.01169 123.0
[M+Na]+ 196.99363 135.2
[M-H]- 172.99713 132.5
[M+NH4]+ 192.03823 138.9
[M+K]+ 212.96757 128.3
[M+H-H2O]+ 157.00167 120.5
[M+HCOO]- 219.00261 143.0
[M+CH3COO]- 233.01826 184.4
[M+Na-2H]- 194.97908 133.0
[M]+ 174.00386 149.1
[M]- 174.00496 149.1
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

patents stripe