CID 3016521

Methyl 2-(4-nitrophenyl)propionate

Structural Information

Molecular Formula
C10H11NO4
SMILES
CC(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)OC
InChI
InChI=1S/C10H11NO4/c1-7(10(12)15-2)8-3-5-9(6-4-8)11(13)14/h3-7H,1-2H3
InChIKey
NWHFCRJVWNLNHP-UHFFFAOYSA-N
Compound name
methyl 2-(4-nitrophenyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

209.0688 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.076076 143.1
[M+Na]+ 232.058018 149.5
[M-H]- 208.061524 146.9
[M+NH4]+ 227.102623 161.0
[M+K]+ 248.031958 145.1
[M+H-H2O]+ 192.066060 141.7
[M+HCOO]- 254.067001 167.2
[M+CH3COO]- 268.082651 180.7
[M+Na-2H]- 230.043466 148.5
[M]+ 209.06825142 143.4
[M]- 209.06934858 143.4
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

patents stripe