CID 11423780

1-(2-bromoethyl)cyclopropan-1-ol

Structural Information

Molecular Formula
C5H9BrO
SMILES
C1CC1(CCBr)O
InChI
InChI=1S/C5H9BrO/c6-4-3-5(7)1-2-5/h7H,1-4H2
InChIKey
BROSMYXVSSCLGP-UHFFFAOYSA-N
Compound name
1-(2-bromoethyl)cyclopropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

207
Patents

163.98367 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.990946 127.3
[M+Na]+ 186.972888 140.6
[M-H]- 162.976394 133.8
[M+NH4]+ 182.017493 148.2
[M+K]+ 202.946828 130.5
[M+H-H2O]+ 146.980930 128.8
[M+HCOO]- 208.981871 148.0
[M+CH3COO]- 222.997521 176.4
[M+Na-2H]- 184.958336 137.0
[M]+ 163.98312142 147.1
[M]- 163.98421858 147.1
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