CID 134163216

6-(bromomethyl)-2,2-dimethylspiro[3.3]heptane

Structural Information

Molecular Formula
C10H17Br
SMILES
CC1(CC2(C1)CC(C2)CBr)C
InChI
InChI=1S/C10H17Br/c1-9(2)6-10(7-9)3-8(4-10)5-11/h8H,3-7H2,1-2H3
InChIKey
GJUYTIHTBVMVTO-UHFFFAOYSA-N
Compound name
6-(bromomethyl)-2,2-dimethylspiro[3.3]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 123.8
[M+Na]+ 239.040578 132.9
[M-H]- 215.044084 132.2
[M+NH4]+ 234.085183 137.6
[M+K]+ 255.014518 128.4
[M+H-H2O]+ 199.048620 119.5
[M+HCOO]- 261.049561 140.6
[M+CH3COO]- 275.065211 198.1
[M+Na-2H]- 237.026026 132.4
[M]+ 216.05081142 154.7
[M]- 216.05190858 154.7
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.