CID 20277148

2-(2-bromoethyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene

Structural Information

Molecular Formula
C11H17Br
SMILES
CC1(C2CC=C(C1C2)CCBr)C
InChI
InChI=1S/C11H17Br/c1-11(2)9-4-3-8(5-6-12)10(11)7-9/h3,9-10H,4-7H2,1-2H3
InChIKey
KHSVWSRFLOVLCW-UHFFFAOYSA-N
Compound name
2-(2-bromoethyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

228.05136 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.05864 150.0
[M+Na]+ 251.04058 159.6
[M-H]- 227.04408 152.5
[M+NH4]+ 246.08518 171.9
[M+K]+ 267.01452 152.0
[M+H-H2O]+ 211.04862 148.1
[M+HCOO]- 273.04956 162.7
[M+CH3COO]- 287.06521 196.7
[M+Na-2H]- 249.02603 160.6
[M]+ 228.05081 179.1
[M]- 228.05191 179.1
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

patents stripe