CID 20121146

2-(6-nitro-1h-indazol-1-yl)acetic acid

Structural Information

Molecular Formula
C9H7N3O4
SMILES
C1=CC2=C(C=C1[N+](=O)[O-])N(N=C2)CC(=O)O
InChI
InChI=1S/C9H7N3O4/c13-9(14)5-11-8-3-7(12(15)16)2-1-6(8)4-10-11/h1-4H,5H2,(H,13,14)
InChIKey
PDPCLJQBZJYUNV-UHFFFAOYSA-N
Compound name
2-(6-nitroindazol-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.04366 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.050936 141.4
[M+Na]+ 244.032878 150.6
[M-H]- 220.036384 143.2
[M+NH4]+ 239.077483 158.4
[M+K]+ 260.006818 144.1
[M+H-H2O]+ 204.040920 139.1
[M+HCOO]- 266.041861 164.7
[M+CH3COO]- 280.057511 178.7
[M+Na-2H]- 242.018326 150.2
[M]+ 221.04311142 142.2
[M]- 221.04420858 142.2
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.