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

10
Patents

174.00441 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.011686 123.0
[M+Na]+ 196.993628 135.2
[M-H]- 172.997134 132.5
[M+NH4]+ 192.038233 138.9
[M+K]+ 212.967568 128.3
[M+H-H2O]+ 157.001670 120.5
[M+HCOO]- 219.002611 143.0
[M+CH3COO]- 233.018261 184.4
[M+Na-2H]- 194.979076 133.0
[M]+ 174.00386142 149.1
[M]- 174.00495858 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