CID 73357524

1338247-49-6

Structural Information

Molecular Formula
C9H12N2O2
SMILES
CC1=C2CC(CCC2=NN1)C(=O)O
InChI
InChI=1S/C9H12N2O2/c1-5-7-4-6(9(12)13)2-3-8(7)11-10-5/h6H,2-4H2,1H3,(H,10,11)(H,12,13)
InChIKey
GAEXPQISYGPHGQ-UHFFFAOYSA-N
Compound name
3-methyl-4,5,6,7-tetrahydro-2H-indazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

180.08987 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.09715 139.1
[M+Na]+ 203.07909 146.7
[M-H]- 179.08259 138.2
[M+NH4]+ 198.12369 158.0
[M+K]+ 219.05303 143.5
[M+H-H2O]+ 163.08713 132.8
[M+HCOO]- 225.08807 155.3
[M+CH3COO]- 239.10372 176.0
[M+Na-2H]- 201.06454 142.2
[M]+ 180.08932 135.3
[M]- 180.09042 135.3
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