CID 140144914

1187468-63-8

Structural Information

Molecular Formula
C8H13BrO2
SMILES
CC(C(=O)C1CCCOC1)Br
InChI
InChI=1S/C8H13BrO2/c1-6(9)8(10)7-3-2-4-11-5-7/h6-7H,2-5H2,1H3
InChIKey
VMDXSAVAQCTULN-UHFFFAOYSA-N
Compound name
2-bromo-1-(oxan-3-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.00989 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.01717 143.6
[M+Na]+ 242.99911 151.4
[M-H]- 219.00261 149.5
[M+NH4]+ 238.04371 163.8
[M+K]+ 258.97305 143.3
[M+H-H2O]+ 203.00715 143.9
[M+HCOO]- 265.00809 159.6
[M+CH3COO]- 279.02374 184.7
[M+Na-2H]- 240.98456 148.7
[M]+ 220.00934 159.1
[M]- 220.01044 159.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.