CID 155897104

3-(bromomethyl)bicyclo[1.1.1]pentane-1-carboxylic acid

Structural Information

Molecular Formula
C7H9BrO2
SMILES
C1C2(CC1(C2)C(=O)O)CBr
InChI
InChI=1S/C7H9BrO2/c8-4-6-1-7(2-6,3-6)5(9)10/h1-4H2,(H,9,10)
InChIKey
NXRRNEOXMJIEBD-UHFFFAOYSA-N
Compound name
3-(bromomethyl)bicyclo[1.1.1]pentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.97859 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.98587 136.9
[M+Na]+ 226.96781 143.5
[M-H]- 202.97131 141.4
[M+NH4]+ 222.01241 145.1
[M+K]+ 242.94175 142.4
[M+H-H2O]+ 186.97585 130.2
[M+HCOO]- 248.97679 148.0
[M+CH3COO]- 262.99244 207.8
[M+Na-2H]- 224.95326 145.5
[M]+ 203.97804 173.3
[M]- 203.97914 173.3
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

No patent data available for this compound.