CID 19826550

4-bromocyclohexane-1-carboxylic acid

Structural Information

Molecular Formula
C7H11BrO2
SMILES
C1CC(CCC1C(=O)O)Br
InChI
InChI=1S/C7H11BrO2/c8-6-3-1-5(2-4-6)7(9)10/h5-6H,1-4H2,(H,9,10)
InChIKey
MLEASHATKJSLCC-UHFFFAOYSA-N
Compound name
4-bromocyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

205.99425 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.00153 138.1
[M+Na]+ 228.98347 147.0
[M-H]- 204.98697 142.5
[M+NH4]+ 224.02807 159.7
[M+K]+ 244.95741 136.9
[M+H-H2O]+ 188.99151 138.9
[M+HCOO]- 250.99245 154.8
[M+CH3COO]- 265.00810 179.7
[M+Na-2H]- 226.96892 142.9
[M]+ 205.99370 151.8
[M]- 205.99480 151.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe