CID 68283342

1386457-64-2

Structural Information

Molecular Formula
C10H9N3O3
SMILES
C1=CC=C2C(=C1)C(=NN2CC(=O)O)C(=O)N
InChI
InChI=1S/C10H9N3O3/c11-10(16)9-6-3-1-2-4-7(6)13(12-9)5-8(14)15/h1-4H,5H2,(H2,11,16)(H,14,15)
InChIKey
SLLJMGCWWJSXQE-UHFFFAOYSA-N
Compound name
2-(3-carbamoylindazol-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

123
Patents

219.06439 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.07167 144.5
[M+Na]+ 242.05361 154.0
[M-H]- 218.05711 145.6
[M+NH4]+ 237.09821 161.9
[M+K]+ 258.02755 151.1
[M+H-H2O]+ 202.06165 137.5
[M+HCOO]- 264.06259 166.1
[M+CH3COO]- 278.07824 187.3
[M+Na-2H]- 240.03906 149.1
[M]+ 219.06384 145.6
[M]- 219.06494 145.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe