CID 155821049

2490370-90-4

Structural Information

Molecular Formula
C10H13Br
SMILES
C1CC([C@@H]2[C@H]1[C@H]3C[C@@H]2C=C3)Br
InChI
InChI=1S/C10H13Br/c11-9-4-3-8-6-1-2-7(5-6)10(8)9/h1-2,6-10H,3-5H2/t6-,7+,8-,9?,10+/m1/s1
InChIKey
XXAHSUCCKFIJPJ-FHJSOTJFSA-N
Compound name
(1R,2S,6R,7S)-3-bromotricyclo[5.2.1.02,6]dec-8-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.02007 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.02735 152.1
[M+Na]+ 235.00929 152.2
[M+NH4]+ 230.05389 159.0
[M+K]+ 250.98323 155.3
[M-H]- 211.01279 151.9
[M+Na-2H]- 232.99474 149.8
[M]+ 212.01952 150.6
[M]- 212.02062 150.6
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.