CID 67784710

Ethyl 1-(bromomethyl)cyclopropanecarboxylate

Structural Information

Molecular Formula
C7H11BrO2
SMILES
CCOC(=O)C1(CC1)CBr
InChI
InChI=1S/C7H11BrO2/c1-2-10-6(9)7(5-8)3-4-7/h2-5H2,1H3
InChIKey
AADCTOWEQFWQTO-UHFFFAOYSA-N
Compound name
ethyl 1-(bromomethyl)cyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

205.99425 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.00153 138.3
[M+Na]+ 228.98347 151.3
[M-H]- 204.98697 145.8
[M+NH4]+ 224.02807 158.2
[M+K]+ 244.95741 141.7
[M+H-H2O]+ 188.99151 139.3
[M+HCOO]- 250.99245 159.1
[M+CH3COO]- 265.00810 185.3
[M+Na-2H]- 226.96892 146.2
[M]+ 205.99370 160.5
[M]- 205.99480 160.5
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