CID 55266320

2-bromo-1-cyclopropylethanol

Structural Information

Molecular Formula
C5H9BrO
SMILES
C1CC1C(CBr)O
InChI
InChI=1S/C5H9BrO/c6-3-5(7)4-1-2-4/h4-5,7H,1-3H2
InChIKey
YOMSZYTYIYJBSC-UHFFFAOYSA-N
Compound name
2-bromo-1-cyclopropylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

163.98367 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.99095 128.0
[M+Na]+ 186.97289 140.4
[M-H]- 162.97639 134.1
[M+NH4]+ 182.01749 147.0
[M+K]+ 202.94683 129.8
[M+H-H2O]+ 146.98093 128.1
[M+HCOO]- 208.98187 148.1
[M+CH3COO]- 222.99752 177.6
[M+Na-2H]- 184.95834 135.5
[M]+ 163.98312 146.6
[M]- 163.98422 146.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe