CID 171774

Einecs 266-280-3

Structural Information

Molecular Formula
C11H10N4O3
SMILES
CC1=CC(=CC=C1)N=NC2C(=NNC2=O)C(=O)O
InChI
InChI=1S/C11H10N4O3/c1-6-3-2-4-7(5-6)12-13-8-9(11(17)18)14-15-10(8)16/h2-5,8H,1H3,(H,15,16)(H,17,18)
InChIKey
CCTSVMZJARVJKV-UHFFFAOYSA-N
Compound name
4-[(3-methylphenyl)diazenyl]-5-oxo-1,4-dihydropyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.07529 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.08257 151.5
[M+Na]+ 269.06451 159.6
[M-H]- 245.06801 156.5
[M+NH4]+ 264.10911 167.2
[M+K]+ 285.03845 156.9
[M+H-H2O]+ 229.07255 143.0
[M+HCOO]- 291.07349 175.9
[M+CH3COO]- 305.08914 196.1
[M+Na-2H]- 267.04996 155.5
[M]+ 246.07474 151.1
[M]- 246.07584 151.1
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.