CID 6366361

Methyl 3-(2-methoxy-5-nitrophenyl)acrylate

Structural Information

Molecular Formula
C11H11NO5
SMILES
COC1=C(C=C(C=C1)[N+](=O)[O-])/C=C/C(=O)OC
InChI
InChI=1S/C11H11NO5/c1-16-10-5-4-9(12(14)15)7-8(10)3-6-11(13)17-2/h3-7H,1-2H3/b6-3+
InChIKey
OWLBJCIGCQVGCE-ZZXKWVIFSA-N
Compound name
methyl (E)-3-(2-methoxy-5-nitrophenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

237.06372 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.070996 149.5
[M+Na]+ 260.052938 156.9
[M-H]- 236.056444 153.5
[M+NH4]+ 255.097543 166.5
[M+K]+ 276.026878 151.6
[M+H-H2O]+ 220.060980 147.8
[M+HCOO]- 282.061921 174.6
[M+CH3COO]- 296.077571 184.5
[M+Na-2H]- 258.038386 155.2
[M]+ 237.06317142 151.8
[M]- 237.06426858 151.8
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