CID 21218112

1-(bromomethyl)cyclohexane-1-carboxylic acid

Structural Information

Molecular Formula
C8H13BrO2
SMILES
C1CCC(CC1)(CBr)C(=O)O
InChI
InChI=1S/C8H13BrO2/c9-6-8(7(10)11)4-2-1-3-5-8/h1-6H2,(H,10,11)
InChIKey
MQQBFVCGZIBRCM-UHFFFAOYSA-N
Compound name
1-(bromomethyl)cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

220.00989 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.01717 142.0
[M+Na]+ 242.99911 150.5
[M-H]- 219.00261 146.2
[M+NH4]+ 238.04371 164.7
[M+K]+ 258.97305 140.4
[M+H-H2O]+ 203.00715 143.5
[M+HCOO]- 265.00809 158.4
[M+CH3COO]- 279.02374 181.0
[M+Na-2H]- 240.98456 148.1
[M]+ 220.00934 156.2
[M]- 220.01044 156.2
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