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

literature stripe

Patent stripe

patents stripe