CID 71299793

50563-23-0

Structural Information

Molecular Formula
C10H11NO4
SMILES
COC(=O)/C(=N/O)/CC1=CC=C(C=C1)O
InChI
InChI=1S/C10H11NO4/c1-15-10(13)9(11-14)6-7-2-4-8(12)5-3-7/h2-5,12,14H,6H2,1H3/b11-9+
InChIKey
YPSPDGUMPSSYDS-PKNBQFBNSA-N
Compound name
methyl (2E)-2-hydroxyimino-3-(4-hydroxyphenyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

209.0688 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.076076 143.4
[M+Na]+ 232.058018 150.0
[M-H]- 208.061524 145.9
[M+NH4]+ 227.102623 161.1
[M+K]+ 248.031958 148.8
[M+H-H2O]+ 192.066060 137.2
[M+HCOO]- 254.067001 166.5
[M+CH3COO]- 268.082651 184.7
[M+Na-2H]- 230.043466 147.7
[M]+ 209.06825142 144.3
[M]- 209.06934858 144.3
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