CID 636709

122-47-4

Structural Information

Molecular Formula
C11H13NO4
SMILES
C/C(=C\C1=CC(=C(C=C1)OC)OC)/[N+](=O)[O-]
InChI
InChI=1S/C11H13NO4/c1-8(12(13)14)6-9-4-5-10(15-2)11(7-9)16-3/h4-7H,1-3H3/b8-6+
InChIKey
JGFBGRHDJMANRR-SOFGYWHQSA-N
Compound name
1,2-dimethoxy-4-[(E)-2-nitroprop-1-enyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

223.08446 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.09174 147.0
[M+Na]+ 246.07368 159.7
[M+NH4]+ 241.11828 154.2
[M+K]+ 262.04762 156.8
[M-H]- 222.07718 149.4
[M+Na-2H]- 244.05913 152.2
[M]+ 223.08391 149.3
[M]- 223.08501 149.3
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