CID 155978160

En300-27746811

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
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]+ 235.03282 137.0
[M+Na]+ 257.01476 139.8
[M+NH4]+ 252.05936 141.8
[M+K]+ 272.98870 142.6
[M-H]- 233.01826 141.7
[M+Na-2H]- 255.00021 141.0
[M]+ 234.02499 138.5
[M]- 234.02609 138.5
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

No patent data available for this compound.