CID 12867481

81359-18-4

Structural Information

Molecular Formula
C6H9BrO2
SMILES
CC1(CC1(C(=O)O)Br)C
InChI
InChI=1S/C6H9BrO2/c1-5(2)3-6(5,7)4(8)9/h3H2,1-2H3,(H,8,9)
InChIKey
QWWABPIBQUPWPY-UHFFFAOYSA-N
Compound name
1-bromo-2,2-dimethylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

191.97859 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.985866 130.8
[M+Na]+ 214.967808 145.0
[M-H]- 190.971314 137.7
[M+NH4]+ 210.012413 152.4
[M+K]+ 230.941748 135.5
[M+H-H2O]+ 174.975850 133.8
[M+HCOO]- 236.976791 150.1
[M+CH3COO]- 250.992441 181.6
[M+Na-2H]- 212.953256 139.4
[M]+ 191.97804142 152.0
[M]- 191.97913858 152.0
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