CID 155487126

2375193-13-6

Structural Information

Molecular Formula
C10H15BrO2
SMILES
COC(=O)C12CCCC(C1)(C2)CBr
InChI
InChI=1S/C10H15BrO2/c1-13-8(12)10-4-2-3-9(5-10,6-10)7-11/h2-7H2,1H3
InChIKey
TUKIJKYCCHVCOA-UHFFFAOYSA-N
Compound name
methyl 5-(bromomethyl)bicyclo[3.1.1]heptane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.02554 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.032816 152.8
[M+Na]+ 269.014758 160.8
[M-H]- 245.018264 154.8
[M+NH4]+ 264.059363 174.9
[M+K]+ 284.988698 154.3
[M+H-H2O]+ 229.022800 151.3
[M+HCOO]- 291.023741 164.0
[M+CH3COO]- 305.039391 195.0
[M+Na-2H]- 267.000206 164.1
[M]+ 246.02499142 181.5
[M]- 246.02608858 181.5
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.