CID 82630

[(1-nitro-2-naphthyl)oxy]acetic acid

Structural Information

Molecular Formula
C12H9NO5
SMILES
C1=CC=C2C(=C1)C=CC(=C2[N+](=O)[O-])OCC(=O)O
InChI
InChI=1S/C12H9NO5/c14-11(15)7-18-10-6-5-8-3-1-2-4-9(8)12(10)13(16)17/h1-6H,7H2,(H,14,15)
InChIKey
SFCJJDUXVOQJMA-UHFFFAOYSA-N
Compound name
2-(1-nitronaphthalen-2-yl)oxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.04807 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.05535 148.8
[M+Na]+ 270.03729 155.7
[M-H]- 246.04079 152.3
[M+NH4]+ 265.08189 165.3
[M+K]+ 286.01123 149.5
[M+H-H2O]+ 230.04533 146.9
[M+HCOO]- 292.04627 171.6
[M+CH3COO]- 306.06192 184.8
[M+Na-2H]- 268.02274 156.9
[M]+ 247.04752 149.2
[M]- 247.04862 149.2
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

No patent data available for this compound.