CID 137951484

21290-87-9

Structural Information

Molecular Formula
C10H17Br
SMILES
CC1(C2CCC1(CC2)CBr)C
InChI
InChI=1S/C10H17Br/c1-9(2)8-3-5-10(9,7-11)6-4-8/h8H,3-7H2,1-2H3
InChIKey
STAMXIXVXYCICG-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-7,7-dimethylbicyclo[2.2.1]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.05136 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.058636 148.6
[M+Na]+ 239.040578 160.7
[M-H]- 215.044084 154.5
[M+NH4]+ 234.085183 179.6
[M+K]+ 255.014518 150.0
[M+H-H2O]+ 199.048620 151.6
[M+HCOO]- 261.049561 167.5
[M+CH3COO]- 275.065211 185.6
[M+Na-2H]- 237.026026 154.6
[M]+ 216.05081142 166.3
[M]- 216.05190858 166.3
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.