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]+ 247.03282 152.8
[M+Na]+ 269.01476 160.8
[M-H]- 245.01826 154.8
[M+NH4]+ 264.05936 174.9
[M+K]+ 284.98870 154.3
[M+H-H2O]+ 229.02280 151.3
[M+HCOO]- 291.02374 164.0
[M+CH3COO]- 305.03939 195.0
[M+Na-2H]- 267.00021 164.1
[M]+ 246.02499 181.5
[M]- 246.02609 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.