CID 165990369

6-(bromomethyl)-1-oxaspiro[3.3]heptane

Structural Information

Molecular Formula
C7H11BrO
SMILES
C1COC12CC(C2)CBr
InChI
InChI=1S/C7H11BrO/c8-5-6-3-7(4-6)1-2-9-7/h6H,1-5H2
InChIKey
ZBRYQOZJQAGNLE-UHFFFAOYSA-N
Compound name
6-(bromomethyl)-1-oxaspiro[3.3]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

189.99933 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.00661 133.3
[M+Na]+ 212.98855 128.6
[M+NH4]+ 208.03315 133.6
[M+K]+ 228.96249 130.8
[M-H]- 188.99205 130.9
[M+Na-2H]- 210.97400 133.0
[M]+ 189.99878 129.2
[M]- 189.99988 129.2
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