CID 138989247

2138001-03-1

Structural Information

Molecular Formula
C9H13Br
SMILES
C1C2CC(C1CBr)C3C2C3
InChI
InChI=1S/C9H13Br/c10-4-6-1-5-2-7(6)9-3-8(5)9/h5-9H,1-4H2
InChIKey
DOFZHJPKLUBFRU-UHFFFAOYSA-N
Compound name
6-(bromomethyl)tricyclo[3.2.1.02,4]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.02007 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.02735 145.8
[M+Na]+ 223.00929 160.1
[M-H]- 199.01279 153.2
[M+NH4]+ 218.05389 169.9
[M+K]+ 238.98323 148.2
[M+H-H2O]+ 183.01733 147.3
[M+HCOO]- 245.01827 164.1
[M+CH3COO]- 259.03392 161.0
[M+Na-2H]- 220.99474 151.0
[M]+ 200.01952 165.1
[M]- 200.02062 165.1
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

No patent data available for this compound.