CID 33787172

1092280-50-6

Structural Information

Molecular Formula
C10H9NO5
SMILES
C=CCOC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)O
InChI
InChI=1S/C10H9NO5/c1-2-5-16-7-3-4-9(11(14)15)8(6-7)10(12)13/h2-4,6H,1,5H2,(H,12,13)
InChIKey
NTLYYFTYFANACZ-UHFFFAOYSA-N
Compound name
2-nitro-5-prop-2-enoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

223.04807 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.055346 144.3
[M+Na]+ 246.037288 151.5
[M-H]- 222.040794 147.0
[M+NH4]+ 241.081893 161.0
[M+K]+ 262.011228 145.6
[M+H-H2O]+ 206.045330 143.0
[M+HCOO]- 268.046271 168.2
[M+CH3COO]- 282.061921 180.1
[M+Na-2H]- 244.022736 150.1
[M]+ 223.04752142 144.5
[M]- 223.04861858 144.5
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