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

10
Patents

163.98367 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.99095 130.5
[M+Na]+ 186.97289 141.4
[M-H]- 162.97639 135.4
[M+NH4]+ 182.01749 155.6
[M+K]+ 202.94683 131.4
[M+H-H2O]+ 146.98093 131.7
[M+HCOO]- 208.98187 150.4
[M+CH3COO]- 222.99752 172.0
[M+Na-2H]- 184.95834 136.1
[M]+ 163.98312 145.2
[M]- 163.98422 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