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]+ 224.05535 144.3
[M+Na]+ 246.03729 151.5
[M-H]- 222.04079 147.0
[M+NH4]+ 241.08189 161.0
[M+K]+ 262.01123 145.6
[M+H-H2O]+ 206.04533 143.0
[M+HCOO]- 268.04627 168.2
[M+CH3COO]- 282.06192 180.1
[M+Na-2H]- 244.02274 150.1
[M]+ 223.04752 144.5
[M]- 223.04862 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