CID 11041090

5-bromopentan-2-ol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
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 130.0
[M+Na]+ 188.988548 140.4
[M-H]- 164.992054 131.8
[M+NH4]+ 184.033153 153.4
[M+K]+ 204.962488 130.5
[M+H-H2O]+ 148.996590 131.1
[M+HCOO]- 210.997531 149.3
[M+CH3COO]- 225.013181 175.5
[M+Na-2H]- 186.973996 136.8
[M]+ 165.99878142 148.0
[M]- 165.99987858 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