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

28
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

literature stripe

Patent stripe

patents stripe