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

3
Patents

189.99933 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.006606 137.0
[M+Na]+ 212.988548 150.0
[M-H]- 188.992054 146.7
[M+NH4]+ 208.033153 158.1
[M+K]+ 228.962488 141.6
[M+H-H2O]+ 172.996590 138.2
[M+HCOO]- 234.997531 156.7
[M+CH3COO]- 249.013181 181.0
[M+Na-2H]- 210.973996 145.5
[M]+ 189.99878142 156.1
[M]- 189.99987858 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