CID 5386499

Desoxyerbstatin

Structural Information

Molecular Formula
C9H9NO2
SMILES
C1=CC=C(C(=C1)/C=C/NC=O)O
InChI
InChI=1S/C9H9NO2/c11-7-10-6-5-8-3-1-2-4-9(8)12/h1-7,12H,(H,10,11)/b6-5+
InChIKey
WVTQKUWNFOBATC-AATRIKPKSA-N
Compound name
N-[(E)-2-(2-hydroxyphenyl)ethenyl]formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

163.06332 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.07060 132.0
[M+Na]+ 186.05254 139.7
[M-H]- 162.05604 134.5
[M+NH4]+ 181.09714 151.9
[M+K]+ 202.02648 136.6
[M+H-H2O]+ 146.06058 126.4
[M+HCOO]- 208.06152 157.0
[M+CH3COO]- 222.07717 176.3
[M+Na-2H]- 184.03799 139.4
[M]+ 163.06277 131.1
[M]- 163.06387 131.1
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.