CID 165346539

Dtxsid601222625

Structural Information

Molecular Formula
C8H11BrO2
SMILES
C1C[C@H]2C[C@@H]1C[C@]2(C(=O)O)Br
InChI
InChI=1S/C8H11BrO2/c9-8(7(10)11)4-5-1-2-6(8)3-5/h5-6H,1-4H2,(H,10,11)/t5-,6+,8+/m1/s1
InChIKey
GBZKOYYSXRCYTK-CHKWXVPMSA-N
Compound name
(1S,2S,4R)-2-bromobicyclo[2.2.1]heptane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.99425 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.00153 147.8
[M+Na]+ 240.98347 158.9
[M-H]- 216.98697 152.2
[M+NH4]+ 236.02807 175.7
[M+K]+ 256.95741 148.6
[M+H-H2O]+ 200.99151 150.4
[M+HCOO]- 262.99245 165.2
[M+CH3COO]- 277.00810 181.3
[M+Na-2H]- 238.96892 152.2
[M]+ 217.99370 164.0
[M]- 217.99480 164.0
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.