CID 135392258

Methyl 4-bromobicyclo[2.2.1]heptane-1-carboxylate

Structural Information

Molecular Formula
C9H13BrO2
SMILES
COC(=O)C12CCC(C1)(CC2)Br
InChI
InChI=1S/C9H13BrO2/c1-12-7(11)8-2-4-9(10,6-8)5-3-8/h2-6H2,1H3
InChIKey
DHCYBMNKIWCNQV-UHFFFAOYSA-N
Compound name
methyl 4-bromobicyclo[2.2.1]heptane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

232.00989 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.01717 150.6
[M+Na]+ 254.99911 162.1
[M-H]- 231.00261 156.4
[M+NH4]+ 250.04371 180.5
[M+K]+ 270.97305 152.4
[M+H-H2O]+ 215.00715 153.6
[M+HCOO]- 277.00809 169.3
[M+CH3COO]- 291.02374 184.6
[M+Na-2H]- 252.98456 156.8
[M]+ 232.00934 169.1
[M]- 232.01044 169.1
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

patents stripe