CID 121552636

2-(bromomethyl)-7-oxabicyclo[2.2.1]heptane

Structural Information

Molecular Formula
C7H11BrO
SMILES
C1CC2C(CC1O2)CBr
InChI
InChI=1S/C7H11BrO/c8-4-5-3-6-1-2-7(5)9-6/h5-7H,1-4H2
InChIKey
UHZMGDQVYYPBQQ-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-7-oxabicyclo[2.2.1]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

189.99933 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.006606 141.1
[M+Na]+ 212.988548 152.4
[M-H]- 188.992054 147.2
[M+NH4]+ 208.033153 168.0
[M+K]+ 228.962488 143.9
[M+H-H2O]+ 172.996590 143.2
[M+HCOO]- 234.997531 160.1
[M+CH3COO]- 249.013181 179.5
[M+Na-2H]- 210.973996 147.2
[M]+ 189.99878142 158.9
[M]- 189.99987858 158.9
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