CID 71777873

2-(bromomethyl)spiro[3.3]heptane

Structural Information

Molecular Formula
C8H13Br
SMILES
C1CC2(C1)CC(C2)CBr
InChI
InChI=1S/C8H13Br/c9-6-7-4-8(5-7)2-1-3-8/h7H,1-6H2
InChIKey
LCYMYIXSODNRML-UHFFFAOYSA-N
Compound name
2-(bromomethyl)spiro[3.3]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.02007 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.02735 113.7
[M+Na]+ 211.00929 122.0
[M-H]- 187.01279 121.6
[M+NH4]+ 206.05389 126.5
[M+K]+ 226.98323 118.1
[M+H-H2O]+ 171.01733 108.0
[M+HCOO]- 233.01827 131.1
[M+CH3COO]- 247.03392 192.5
[M+Na-2H]- 208.99474 123.1
[M]+ 188.01952 143.4
[M]- 188.02062 143.4
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.