CID 3634993

Methyl 2,2-dibromo-1-methylcyclopropane-1-carboxylate

Structural Information

Molecular Formula
C6H8Br2O2
SMILES
CC1(CC1(Br)Br)C(=O)OC
InChI
InChI=1S/C6H8Br2O2/c1-5(4(9)10-2)3-6(5,7)8/h3H2,1-2H3
InChIKey
IMIWMQAWODLGHY-UHFFFAOYSA-N
Compound name
methyl 2,2-dibromo-1-methylcyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

269.8891 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.89638 137.6
[M+Na]+ 292.87832 151.1
[M-H]- 268.88182 145.8
[M+NH4]+ 287.92292 157.0
[M+K]+ 308.85226 137.1
[M+H-H2O]+ 252.88636 147.2
[M+HCOO]- 314.88730 153.2
[M+CH3COO]- 328.90295 200.9
[M+Na-2H]- 290.86377 145.9
[M]+ 269.88855 174.1
[M]- 269.88965 174.1
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.