CID 130493985

1-(bromomethyl)-8-oxaspiro[4.5]decane

Structural Information

Molecular Formula
C10H17BrO
SMILES
C1CC(C2(C1)CCOCC2)CBr
InChI
InChI=1S/C10H17BrO/c11-8-9-2-1-3-10(9)4-6-12-7-5-10/h9H,1-8H2
InChIKey
VLAMFNNUIUKOKW-UHFFFAOYSA-N
Compound name
4-(bromomethyl)-8-oxaspiro[4.5]decane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.04628 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.05356 150.8
[M+Na]+ 255.03550 159.1
[M-H]- 231.03900 158.5
[M+NH4]+ 250.08010 174.6
[M+K]+ 271.00944 150.1
[M+H-H2O]+ 215.04354 152.0
[M+HCOO]- 277.04448 167.2
[M+CH3COO]- 291.06013 184.1
[M+Na-2H]- 253.02095 156.5
[M]+ 232.04573 164.2
[M]- 232.04683 164.2
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

No patent data available for this compound.