CID 13411843

1-bromocyclohexanecarboxylic acid

Structural Information

Molecular Formula
C7H11BrO2
SMILES
C1CCC(CC1)(C(=O)O)Br
InChI
InChI=1S/C7H11BrO2/c8-7(6(9)10)4-2-1-3-5-7/h1-5H2,(H,9,10)
InChIKey
KHFXNUAYBKPUKC-UHFFFAOYSA-N
Compound name
1-bromocyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

77
Patents

205.99425 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.00153 137.5
[M+Na]+ 228.98347 146.3
[M-H]- 204.98697 141.9
[M+NH4]+ 224.02807 160.7
[M+K]+ 244.95741 136.5
[M+H-H2O]+ 188.99151 139.1
[M+HCOO]- 250.99245 154.2
[M+CH3COO]- 265.00810 178.2
[M+Na-2H]- 226.96892 144.1
[M]+ 205.99370 151.3
[M]- 205.99480 151.3
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