CID 13016769

1-bromopentan-2-ol

Structural Information

Molecular Formula
C5H11BrO
SMILES
CCCC(CBr)O
InChI
InChI=1S/C5H11BrO/c1-2-3-5(7)4-6/h5,7H,2-4H2,1H3
InChIKey
AMCWGHNIYLEOOO-UHFFFAOYSA-N
Compound name
1-bromopentan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

165.99933 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.00661 130.0
[M+Na]+ 188.98855 140.4
[M-H]- 164.99205 131.8
[M+NH4]+ 184.03315 153.4
[M+K]+ 204.96249 130.5
[M+H-H2O]+ 148.99659 131.1
[M+HCOO]- 210.99753 149.3
[M+CH3COO]- 225.01318 175.5
[M+Na-2H]- 186.97400 136.8
[M]+ 165.99878 148.0
[M]- 165.99988 148.0
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