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]+ 189.027346 113.7
[M+Na]+ 211.009288 122.0
[M-H]- 187.012794 121.6
[M+NH4]+ 206.053893 126.5
[M+K]+ 226.983228 118.1
[M+H-H2O]+ 171.017330 108.0
[M+HCOO]- 233.018271 131.1
[M+CH3COO]- 247.033921 192.5
[M+Na-2H]- 208.994736 123.1
[M]+ 188.01952142 143.4
[M]- 188.02061858 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.