CID 6433983

Brn 2667199

Structural Information

Molecular Formula
C15H21NO4
SMILES
CCCCOC1=C(C=C(C=C1)/C=C(\C)/C(=O)NO)OC
InChI
InChI=1S/C15H21NO4/c1-4-5-8-20-13-7-6-12(10-14(13)19-3)9-11(2)15(17)16-18/h6-7,9-10,18H,4-5,8H2,1-3H3,(H,16,17)/b11-9+
InChIKey
JYALOUTXPLCXHL-PKNBQFBNSA-N
Compound name
(E)-3-(4-butoxy-3-methoxyphenyl)-N-hydroxy-2-methylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.14706 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.15434 166.0
[M+Na]+ 302.13628 171.3
[M-H]- 278.13978 167.9
[M+NH4]+ 297.18088 181.2
[M+K]+ 318.11022 169.1
[M+H-H2O]+ 262.14432 159.1
[M+HCOO]- 324.14526 187.4
[M+CH3COO]- 338.16091 201.0
[M+Na-2H]- 300.12173 167.0
[M]+ 279.14651 169.1
[M]- 279.14761 169.1
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.