CID 12348194

3-bromocyclopentan-1-ol

Structural Information

Molecular Formula
C5H9BrO
SMILES
C1CC(CC1O)Br
InChI
InChI=1S/C5H9BrO/c6-4-1-2-5(7)3-4/h4-5,7H,1-3H2
InChIKey
NYSPEDOPWWKUSB-UHFFFAOYSA-N
Compound name
3-bromocyclopentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

163.98367 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.990946 130.5
[M+Na]+ 186.972888 141.4
[M-H]- 162.976394 135.4
[M+NH4]+ 182.017493 155.6
[M+K]+ 202.946828 131.4
[M+H-H2O]+ 146.980930 131.7
[M+HCOO]- 208.981871 150.4
[M+CH3COO]- 222.997521 172.0
[M+Na-2H]- 184.958336 136.1
[M]+ 163.98312142 145.2
[M]- 163.98421858 145.2
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

patents stripe