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]+ 217.05864 123.8
[M+Na]+ 239.04058 132.9
[M-H]- 215.04408 132.2
[M+NH4]+ 234.08518 137.6
[M+K]+ 255.01452 128.4
[M+H-H2O]+ 199.04862 119.5
[M+HCOO]- 261.04956 140.6
[M+CH3COO]- 275.06521 198.1
[M+Na-2H]- 237.02603 132.4
[M]+ 216.05081 154.7
[M]- 216.05191 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.