CID 3016480

2-nitrobenzyl acrylate

Structural Information

Molecular Formula
C10H9NO4
SMILES
C=CC(=O)OCC1=CC=CC=C1[N+](=O)[O-]
InChI
InChI=1S/C10H9NO4/c1-2-10(12)15-7-8-5-3-4-6-9(8)11(13)14/h2-6H,1,7H2
InChIKey
CVTDDZYPSGYVNN-UHFFFAOYSA-N
Compound name
(2-nitrophenyl)methyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

123
Patents

207.05316 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.060436 142.4
[M+Na]+ 230.042378 149.4
[M-H]- 206.045884 146.2
[M+NH4]+ 225.086983 160.3
[M+K]+ 246.016318 143.8
[M+H-H2O]+ 190.050420 140.9
[M+HCOO]- 252.051361 167.6
[M+CH3COO]- 266.067011 178.9
[M+Na-2H]- 228.027826 149.0
[M]+ 207.05261142 142.6
[M]- 207.05370858 142.6
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