CID 10241132

5-bromopentanal

Structural Information

Molecular Formula
C5H9BrO
SMILES
C(CCBr)CC=O
InChI
InChI=1S/C5H9BrO/c6-4-2-1-3-5-7/h5H,1-4H2
InChIKey
LEJSXHLXJUILMI-UHFFFAOYSA-N
Compound name
5-bromopentanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

374
Patents

163.98367 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.99095 126.0
[M+Na]+ 186.97289 137.5
[M-H]- 162.97639 129.3
[M+NH4]+ 182.01749 150.3
[M+K]+ 202.94683 127.7
[M+H-H2O]+ 146.98093 127.2
[M+HCOO]- 208.98187 148.1
[M+CH3COO]- 222.99752 176.4
[M+Na-2H]- 184.95834 134.8
[M]+ 163.98312 146.0
[M]- 163.98422 146.0
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