CID 129987693

6-bromospiro[3.3]heptane-2-carboxylic acid

Structural Information

Molecular Formula
C8H11BrO2
SMILES
C1C(CC12CC(C2)Br)C(=O)O
InChI
InChI=1S/C8H11BrO2/c9-6-3-8(4-6)1-5(2-8)7(10)11/h5-6H,1-4H2,(H,10,11)
InChIKey
MHDPHYWUYBMDQZ-UHFFFAOYSA-N
Compound name
2-bromospiro[3.3]heptane-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

217.99425 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.00153 122.1
[M+Na]+ 240.98347 129.7
[M-H]- 216.98697 128.7
[M+NH4]+ 236.02807 132.8
[M+K]+ 256.95741 125.9
[M+H-H2O]+ 200.99151 115.8
[M+HCOO]- 262.99245 137.3
[M+CH3COO]- 277.00810 194.3
[M+Na-2H]- 238.96892 128.8
[M]+ 217.99370 151.5
[M]- 217.99480 151.5
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

patents stripe