CID 11182829

4-bromopentan-1-ol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

165.99933 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.00661 128.9
[M+Na]+ 188.98855 130.2
[M+NH4]+ 184.03315 133.6
[M+K]+ 204.96249 131.0
[M-H]- 164.99205 127.1
[M+Na-2H]- 186.97400 130.0
[M]+ 165.99878 127.2
[M]- 165.99988 127.2
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