CID 146155536

1-(bromomethyl)-2-oxabicyclo[2.2.1]heptane

Structural Information

Molecular Formula
C7H11BrO
SMILES
C1CC2(CC1CO2)CBr
InChI
InChI=1S/C7H11BrO/c8-5-7-2-1-6(3-7)4-9-7/h6H,1-5H2
InChIKey
CDZJTTXNJVQYRP-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-2-oxabicyclo[2.2.1]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 139.7
[M+Na]+ 212.988548 151.2
[M-H]- 188.992054 145.9
[M+NH4]+ 208.033153 168.3
[M+K]+ 228.962488 142.7
[M+H-H2O]+ 172.996590 142.4
[M+HCOO]- 234.997531 158.8
[M+CH3COO]- 249.013181 155.6
[M+Na-2H]- 210.973996 147.6
[M]+ 189.99878142 157.6
[M]- 189.99987858 157.6
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.