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]+ 189.02735 128.3
[M+Na]+ 211.00929 140.7
[M-H]- 187.01279 138.1
[M+NH4]+ 206.05389 145.5
[M+K]+ 226.98323 134.3
[M+H-H2O]+ 171.01733 127.1
[M+HCOO]- 233.01827 147.7
[M+CH3COO]- 247.03392 186.8
[M+Na-2H]- 208.99474 138.6
[M]+ 188.01952 155.3
[M]- 188.02062 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.