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]+ 222.05094 141.4
[M+Na]+ 244.03288 150.6
[M-H]- 220.03638 143.2
[M+NH4]+ 239.07748 158.4
[M+K]+ 260.00682 144.1
[M+H-H2O]+ 204.04092 139.1
[M+HCOO]- 266.04186 164.7
[M+CH3COO]- 280.05751 178.7
[M+Na-2H]- 242.01833 150.2
[M]+ 221.04311 142.2
[M]- 221.04421 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.