CID 15752619

2-(2-bromoethyl)bicyclo[2.2.1]heptane

Structural Information

Molecular Formula
C9H15Br
SMILES
C1CC2CC1CC2CCBr
InChI
InChI=1S/C9H15Br/c10-4-3-9-6-7-1-2-8(9)5-7/h7-9H,1-6H2
InChIKey
ULEUMUYIYXETME-UHFFFAOYSA-N
Compound name
2-(2-bromoethyl)bicyclo[2.2.1]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

202.0357 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.04298 148.5
[M+Na]+ 225.02492 159.1
[M-H]- 201.02842 153.8
[M+NH4]+ 220.06952 176.2
[M+K]+ 240.99886 148.8
[M+H-H2O]+ 185.03296 150.0
[M+HCOO]- 247.03390 167.5
[M+CH3COO]- 261.04955 183.4
[M+Na-2H]- 223.01037 152.6
[M]+ 202.03515 165.0
[M]- 202.03625 165.0
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