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 147.2
[M+Na]+ 257.01476 160.0
[M-H]- 233.01826 154.6
[M+NH4]+ 252.05936 164.7
[M+K]+ 272.98870 149.2
[M+H-H2O]+ 217.02280 147.2
[M+HCOO]- 279.02374 166.2
[M+CH3COO]- 293.03939 191.7
[M+Na-2H]- 255.00021 153.0
[M]+ 234.02499 169.3
[M]- 234.02609 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.