CID 155978160

2624108-83-2

Structural Information

Molecular Formula
C9H15BrO2
SMILES
CC(C)(C)OC(=O)[C@@H]1C[C@H]1CBr
InChI
InChI=1S/C9H15BrO2/c1-9(2,3)12-8(11)7-4-6(7)5-10/h6-7H,4-5H2,1-3H3/t6-,7+/m0/s1
InChIKey
DBDHFVMYOFKQKW-NKWVEPMBSA-N
Compound name
cis-tert-butyl (1R,2R)-2-(bromomethyl)cyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.02554 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.032816 147.2
[M+Na]+ 257.014758 160.0
[M-H]- 233.018264 154.6
[M+NH4]+ 252.059363 164.7
[M+K]+ 272.988698 149.2
[M+H-H2O]+ 217.022800 147.2
[M+HCOO]- 279.023741 166.2
[M+CH3COO]- 293.039391 191.7
[M+Na-2H]- 255.000206 153.0
[M]+ 234.02499142 169.3
[M]- 234.02608858 169.3
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

No patent data available for this compound.