CID 124629911

108289-50-5

Structural Information

Molecular Formula
C4H7BrO
SMILES
C1[C@H]([C@H]1Br)CO
InChI
InChI=1S/C4H7BrO/c5-4-1-3(4)2-6/h3-4,6H,1-2H2/t3-,4-/m0/s1
InChIKey
SOUNJUAOSVUXMT-IMJSIDKUSA-N
Compound name
[(1S,2S)-2-bromocyclopropyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

149.96803 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.97531 123.0
[M+Na]+ 172.95725 136.8
[M-H]- 148.96075 129.5
[M+NH4]+ 168.00185 142.8
[M+K]+ 188.93119 126.0
[M+H-H2O]+ 132.96529 123.4
[M+HCOO]- 194.96623 144.1
[M+CH3COO]- 208.98188 175.1
[M+Na-2H]- 170.94270 131.5
[M]+ 149.96748 142.1
[M]- 149.96858 142.1
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.