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]+ 192.98587 130.8
[M+Na]+ 214.96781 145.0
[M-H]- 190.97131 137.7
[M+NH4]+ 210.01241 152.4
[M+K]+ 230.94175 135.5
[M+H-H2O]+ 174.97585 133.8
[M+HCOO]- 236.97679 150.1
[M+CH3COO]- 250.99244 181.6
[M+Na-2H]- 212.95326 139.4
[M]+ 191.97804 152.0
[M]- 191.97914 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