CID 165739951

5-(bromomethyl)-5-methylspiro[2.3]hexane

Structural Information

Molecular Formula
C8H13Br
SMILES
CC1(CC2(C1)CC2)CBr
InChI
InChI=1S/C8H13Br/c1-7(6-9)4-8(5-7)2-3-8/h2-6H2,1H3
InChIKey
IQPXGWRXWQISNB-UHFFFAOYSA-N
Compound name
5-(bromomethyl)-5-methylspiro[2.3]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.02007 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.027346 128.3
[M+Na]+ 211.009288 140.7
[M-H]- 187.012794 138.1
[M+NH4]+ 206.053893 145.5
[M+K]+ 226.983228 134.3
[M+H-H2O]+ 171.017330 127.1
[M+HCOO]- 233.018271 147.7
[M+CH3COO]- 247.033921 186.8
[M+Na-2H]- 208.994736 138.6
[M]+ 188.01952142 155.3
[M]- 188.02061858 155.3
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.