CID 6498680

2-ethyl-4,5,6,7-tetrahydro-2h-indazole-3-carboxylic acid

Structural Information

Molecular Formula
C10H14N2O2
SMILES
CCN1C(=C2CCCCC2=N1)C(=O)O
InChI
InChI=1S/C10H14N2O2/c1-2-12-9(10(13)14)7-5-3-4-6-8(7)11-12/h2-6H2,1H3,(H,13,14)
InChIKey
SKWGJKUOJHNXHI-UHFFFAOYSA-N
Compound name
2-ethyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.10553 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.112806 143.0
[M+Na]+ 217.094748 150.6
[M-H]- 193.098254 143.3
[M+NH4]+ 212.139353 162.0
[M+K]+ 233.068688 148.1
[M+H-H2O]+ 177.102790 136.3
[M+HCOO]- 239.103731 160.4
[M+CH3COO]- 253.119381 181.5
[M+Na-2H]- 215.080196 146.1
[M]+ 194.10498142 141.4
[M]- 194.10607858 141.4
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

patents stripe