CID 12740745

38506-15-9

Structural Information

Molecular Formula
C7H11BrO2
SMILES
CCOC(=O)[C@@H]1C[C@H]1CBr
InChI
InChI=1S/C7H11BrO2/c1-2-10-7(9)6-3-5(6)4-8/h5-6H,2-4H2,1H3/t5-,6+/m0/s1
InChIKey
XAUNGMQKDDMMQW-NTSWFWBYSA-N
Compound name
ethyl (1R,2R)-2-(bromomethyl)cyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

205.99425 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.00153 138.3
[M+Na]+ 228.98347 151.4
[M-H]- 204.98697 145.7
[M+NH4]+ 224.02807 156.6
[M+K]+ 244.95741 140.8
[M+H-H2O]+ 188.99151 138.0
[M+HCOO]- 250.99245 159.4
[M+CH3COO]- 265.00810 186.7
[M+Na-2H]- 226.96892 144.5
[M]+ 205.99370 160.2
[M]- 205.99480 160.2
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