CID 81350437

1-(bromomethyl)-5-oxaspiro[2.4]heptane

Structural Information

Molecular Formula
C7H11BrO
SMILES
C1COCC12CC2CBr
InChI
InChI=1S/C7H11BrO/c8-4-6-3-7(6)1-2-9-5-7/h6H,1-5H2
InChIKey
TVNMGTNGTKSCFB-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-5-oxaspiro[2.4]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

189.99933 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.00661 137.0
[M+Na]+ 212.98855 150.0
[M-H]- 188.99205 146.7
[M+NH4]+ 208.03315 158.1
[M+K]+ 228.96249 141.6
[M+H-H2O]+ 172.99659 138.2
[M+HCOO]- 234.99753 156.7
[M+CH3COO]- 249.01318 181.0
[M+Na-2H]- 210.97400 145.5
[M]+ 189.99878 156.1
[M]- 189.99988 156.1
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