CID 177800847

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

Structural Information

Molecular Formula
C8H11BrO2
SMILES
C1CC2(C1)CC(C2)(C(=O)O)Br
InChI
InChI=1S/C8H11BrO2/c9-8(6(10)11)4-7(5-8)2-1-3-7/h1-5H2,(H,10,11)
InChIKey
KCGLEKKADHOUHG-UHFFFAOYSA-N
Compound name
2-bromospiro[3.3]heptane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.99425 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.00153 124.0
[M+Na]+ 240.98347 131.8
[M-H]- 216.98697 130.9
[M+NH4]+ 236.02807 136.3
[M+K]+ 256.95741 127.8
[M+H-H2O]+ 200.99151 119.2
[M+HCOO]- 262.99245 139.3
[M+CH3COO]- 277.00810 193.2
[M+Na-2H]- 238.96892 132.1
[M]+ 217.99370 153.6
[M]- 217.99480 153.6
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.