CID 224390

2-bromo-2-cyclohexylacetic acid

Structural Information

Molecular Formula
C8H13BrO2
SMILES
C1CCC(CC1)C(C(=O)O)Br
InChI
InChI=1S/C8H13BrO2/c9-7(8(10)11)6-4-2-1-3-5-6/h6-7H,1-5H2,(H,10,11)
InChIKey
HQZXUBBDWRDPCS-UHFFFAOYSA-N
Compound name
2-bromo-2-cyclohexylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

220.00989 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.01717 144.0
[M+Na]+ 242.99911 151.3
[M-H]- 219.00261 147.9
[M+NH4]+ 238.04371 164.7
[M+K]+ 258.97305 141.4
[M+H-H2O]+ 203.00715 144.4
[M+HCOO]- 265.00809 159.3
[M+CH3COO]- 279.02374 182.3
[M+Na-2H]- 240.98456 147.6
[M]+ 220.00934 157.0
[M]- 220.01044 157.0
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

patents stripe