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]+ 219.001526 124.0
[M+Na]+ 240.983468 131.8
[M-H]- 216.986974 130.9
[M+NH4]+ 236.028073 136.3
[M+K]+ 256.957408 127.8
[M+H-H2O]+ 200.991510 119.2
[M+HCOO]- 262.992451 139.3
[M+CH3COO]- 277.008101 193.2
[M+Na-2H]- 238.968916 132.1
[M]+ 217.99370142 153.6
[M]- 217.99479858 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.