CID 155819835

2-bromodispiro[3.1.3^{6}.1^{4}]decane

Structural Information

Molecular Formula
C10H15Br
SMILES
C1CC2(C1)CC3(C2)CC(C3)Br
InChI
InChI=1S/C10H15Br/c11-8-4-10(5-8)6-9(7-10)2-1-3-9/h8H,1-7H2
InChIKey
DEMBJPQJPMMSHN-UHFFFAOYSA-N
Compound name
8-bromodispiro[3.1.36.14]decane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.0357 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.04298 111.5
[M+Na]+ 237.02492 118.5
[M-H]- 213.02842 120.5
[M+NH4]+ 232.06952 118.9
[M+K]+ 252.99886 117.0
[M+H-H2O]+ 197.03296 104.8
[M+HCOO]- 259.03390 125.6
[M+CH3COO]- 273.04955 209.1
[M+Na-2H]- 235.01037 120.5
[M]+ 214.03515 143.3
[M]- 214.03625 143.3
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.