CID 20210

6-bromohexanoic acid

Structural Information

Molecular Formula
C6H11BrO2
SMILES
C(CCC(=O)O)CCBr
InChI
InChI=1S/C6H11BrO2/c7-5-3-1-2-4-6(8)9/h1-5H2,(H,8,9)
InChIKey
NVRVNSHHLPQGCU-UHFFFAOYSA-N
Compound name
6-bromohexanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

17
References

5918
Patents

193.99425 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.00153 135.3
[M+Na]+ 216.98347 145.6
[M-H]- 192.98697 137.0
[M+NH4]+ 212.02807 157.6
[M+K]+ 232.95741 135.2
[M+H-H2O]+ 176.99151 136.0
[M+HCOO]- 238.99245 154.8
[M+CH3COO]- 253.00810 179.2
[M+Na-2H]- 214.96892 141.6
[M]+ 193.99370 154.5
[M]- 193.99480 154.5
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