CID 130648081

(1r,6s,7s)-7-bromobicyclo[4.1.0]heptane-7-carboxylic acid

Structural Information

Molecular Formula
C8H11BrO2
SMILES
C1CC[C@H]2[C@@H](C1)C2(C(=O)O)Br
InChI
InChI=1S/C8H11BrO2/c9-8(7(10)11)5-3-1-2-4-6(5)8/h5-6H,1-4H2,(H,10,11)/t5-,6+,8?
InChIKey
SYFAQQMTYSCLJX-OFWQXNEASA-N
Compound name
(1R,6S)-7-bromobicyclo[4.1.0]heptane-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.99425 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.00153 142.2
[M+Na]+ 240.98347 154.3
[M-H]- 216.98697 148.7
[M+NH4]+ 236.02807 161.7
[M+K]+ 256.95741 143.8
[M+H-H2O]+ 200.99151 143.6
[M+HCOO]- 262.99245 158.3
[M+CH3COO]- 277.00810 185.4
[M+Na-2H]- 238.96892 149.3
[M]+ 217.99370 159.8
[M]- 217.99480 159.8
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.