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

3
Patents

189.99933 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.006606 108.6
[M+Na]+ 212.988548 116.9
[M-H]- 188.992054 117.1
[M+NH4]+ 208.033153 120.2
[M+K]+ 228.962488 114.8
[M+H-H2O]+ 172.996590 103.0
[M+HCOO]- 234.997531 125.8
[M+CH3COO]- 249.013181 191.5
[M+Na-2H]- 210.973996 119.6
[M]+ 189.99878142 139.8
[M]- 189.99987858 139.8
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