CID 165589197

3-(bromomethyl)spiro[3.3]heptan-1-one

Structural Information

Molecular Formula
C8H11BrO
SMILES
C1CC2(C1)C(CC2=O)CBr
InChI
InChI=1S/C8H11BrO/c9-5-6-4-7(10)8(6)2-1-3-8/h6H,1-5H2
InChIKey
UQLHEVHAEYUUML-UHFFFAOYSA-N
Compound name
1-(bromomethyl)spiro[3.3]heptan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.99933 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.006606 114.6
[M+Na]+ 224.988548 123.5
[M-H]- 200.992054 122.7
[M+NH4]+ 220.033153 126.9
[M+K]+ 240.962488 119.6
[M+H-H2O]+ 184.996590 108.9
[M+HCOO]- 246.997531 132.1
[M+CH3COO]- 261.013181 194.2
[M+Na-2H]- 222.973996 123.4
[M]+ 201.99878142 145.1
[M]- 201.99987858 145.1
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

No patent data available for this compound.