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]+ 213.027346 153.1
[M+Na]+ 235.009288 165.3
[M-H]- 211.012794 160.0
[M+NH4]+ 230.053893 183.0
[M+K]+ 250.983228 154.9
[M+H-H2O]+ 195.017330 155.5
[M+HCOO]- 257.018271 172.4
[M+CH3COO]- 271.033921 168.4
[M+Na-2H]- 232.994736 155.8
[M]+ 212.01952142 169.7
[M]- 212.02061858 169.7
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.