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
cis-ethyl (1R,2R)-2-(bromomethyl)cyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

205.99425 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.001526 138.3
[M+Na]+ 228.983468 151.4
[M-H]- 204.986974 145.7
[M+NH4]+ 224.028073 156.6
[M+K]+ 244.957408 140.8
[M+H-H2O]+ 188.991510 138.0
[M+HCOO]- 250.992451 159.4
[M+CH3COO]- 265.008101 186.7
[M+Na-2H]- 226.968916 144.5
[M]+ 205.99370142 160.2
[M]- 205.99479858 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