CID 177798743

5-(2-bromoethyl)spiro[2.3]hexane

Structural Information

Molecular Formula
C8H13Br
SMILES
C1CC12CC(C2)CCBr
InChI
InChI=1S/C8H13Br/c9-4-1-7-5-8(6-7)2-3-8/h7H,1-6H2
InChIKey
LBVLHEYQTPGPAY-UHFFFAOYSA-N
Compound name
5-(2-bromoethyl)spiro[2.3]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.02007 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.027346 127.3
[M+Na]+ 211.009288 139.1
[M-H]- 187.012794 136.6
[M+NH4]+ 206.053893 142.7
[M+K]+ 226.983228 132.0
[M+H-H2O]+ 171.017330 124.6
[M+HCOO]- 233.018271 147.0
[M+CH3COO]- 247.033921 187.0
[M+Na-2H]- 208.994736 136.8
[M]+ 188.01952142 153.7
[M]- 188.02061858 153.7
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.