CID 84720322

1780892-10-5

Structural Information

Molecular Formula
C10H14N2O2
SMILES
CCN1C2=C(CCC(C2)C(=O)O)C=N1
InChI
InChI=1S/C10H14N2O2/c1-2-12-9-5-7(10(13)14)3-4-8(9)6-11-12/h6-7H,2-5H2,1H3,(H,13,14)
InChIKey
XMEMEWZXOSXKEF-UHFFFAOYSA-N
Compound name
1-ethyl-4,5,6,7-tetrahydroindazole-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.10553 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.11281 143.0
[M+Na]+ 217.09475 153.4
[M+NH4]+ 212.13935 150.4
[M+K]+ 233.06869 150.2
[M-H]- 193.09825 142.6
[M+Na-2H]- 215.08020 145.9
[M]+ 194.10498 144.0
[M]- 194.10608 144.0
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.