CID 12469194

Methyl 2-bromo-1-methylcyclopropane-1-carboxylate

Structural Information

Molecular Formula
C6H9BrO2
SMILES
CC1(CC1Br)C(=O)OC
InChI
InChI=1S/C6H9BrO2/c1-6(3-4(6)7)5(8)9-2/h4H,3H2,1-2H3
InChIKey
IQHRBUGQFSFNHZ-UHFFFAOYSA-N
Compound name
methyl 2-bromo-1-methylcyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

191.97859 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.98587 132.7
[M+Na]+ 214.96781 146.8
[M-H]- 190.97131 140.7
[M+NH4]+ 210.01241 153.4
[M+K]+ 230.94175 137.3
[M+H-H2O]+ 174.97585 134.1
[M+HCOO]- 236.97679 153.8
[M+CH3COO]- 250.99244 183.6
[M+Na-2H]- 212.95326 140.6
[M]+ 191.97804 154.9
[M]- 191.97914 154.9
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