CID 118709

34626-51-2

Structural Information

Molecular Formula
C5H11BrO
SMILES
C(CCO)CCBr
InChI
InChI=1S/C5H11BrO/c6-4-2-1-3-5-7/h7H,1-5H2
InChIKey
WJVQJXVMLRGNGA-UHFFFAOYSA-N
Compound name
5-bromopentan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

2781
Patents

165.99933 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.006606 129.1
[M+Na]+ 188.988548 139.7
[M-H]- 164.992054 130.9
[M+NH4]+ 184.033153 152.6
[M+K]+ 204.962488 129.5
[M+H-H2O]+ 148.996590 130.2
[M+HCOO]- 210.997531 149.4
[M+CH3COO]- 225.013181 174.7
[M+Na-2H]- 186.973996 137.1
[M]+ 165.99878142 147.8
[M]- 165.99987858 147.8
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