CID 6105823

Nsc625301

Structural Information

Molecular Formula
C10H11NO3
SMILES
CC(=O)N/C=C/C1=C(C=CC(=C1)O)O
InChI
InChI=1S/C10H11NO3/c1-7(12)11-5-4-8-6-9(13)2-3-10(8)14/h2-6,13-14H,1H3,(H,11,12)/b5-4+
InChIKey
TYVCZBIWWRZZHO-SNAWJCMRSA-N
Compound name
N-[(E)-2-(2,5-dihydroxyphenyl)ethenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

193.0739 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.08118 140.6
[M+Na]+ 216.06312 148.1
[M-H]- 192.06662 142.0
[M+NH4]+ 211.10772 158.7
[M+K]+ 232.03706 145.0
[M+H-H2O]+ 176.07116 135.1
[M+HCOO]- 238.07210 162.9
[M+CH3COO]- 252.08775 180.4
[M+Na-2H]- 214.04857 144.9
[M]+ 193.07335 139.2
[M]- 193.07445 139.2
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.