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

68
Patents

209.0688 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.07608 143.1
[M+Na]+ 232.05802 149.5
[M-H]- 208.06152 146.9
[M+NH4]+ 227.10262 161.0
[M+K]+ 248.03196 145.1
[M+H-H2O]+ 192.06606 141.7
[M+HCOO]- 254.06700 167.2
[M+CH3COO]- 268.08265 180.7
[M+Na-2H]- 230.04347 148.5
[M]+ 209.06825 143.4
[M]- 209.06935 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