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

5
Patents

180.08987 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.097146 139.1
[M+Na]+ 203.079088 146.7
[M-H]- 179.082594 138.2
[M+NH4]+ 198.123693 158.0
[M+K]+ 219.053028 143.5
[M+H-H2O]+ 163.087130 132.8
[M+HCOO]- 225.088071 155.3
[M+CH3COO]- 239.103721 176.0
[M+Na-2H]- 201.064536 142.2
[M]+ 180.08932142 135.3
[M]- 180.09041858 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