CID 6433886

3-bromo-4-butoxycinnamohydroxamic acid

Structural Information

Molecular Formula
C13H16BrNO3
SMILES
CCCCOC1=C(C=C(C=C1)/C=C/C(=O)NO)Br
InChI
InChI=1S/C13H16BrNO3/c1-2-3-8-18-12-6-4-10(9-11(12)14)5-7-13(16)15-17/h4-7,9,17H,2-3,8H2,1H3,(H,15,16)/b7-5+
InChIKey
FSDNIHUUBAWDFE-FNORWQNLSA-N
Compound name
(E)-3-(3-bromo-4-butoxyphenyl)-N-hydroxyprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.03137 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.03865 163.2
[M+Na]+ 336.02059 172.4
[M-H]- 312.02409 167.6
[M+NH4]+ 331.06519 180.7
[M+K]+ 351.99453 160.1
[M+H-H2O]+ 296.02863 161.7
[M+HCOO]- 358.02957 183.2
[M+CH3COO]- 372.04522 201.2
[M+Na-2H]- 334.00604 167.2
[M]+ 313.03082 182.9
[M]- 313.03192 182.9
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.