CID 83906436

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

Structural Information

Molecular Formula
C9H12N2O2
SMILES
CN1C=C2C(CCCC2=N1)C(=O)O
InChI
InChI=1S/C9H12N2O2/c1-11-5-7-6(9(12)13)3-2-4-8(7)10-11/h5-6H,2-4H2,1H3,(H,12,13)
InChIKey
YAWPIGWXURCZPH-UHFFFAOYSA-N
Compound name
2-methyl-4,5,6,7-tetrahydroindazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

180.08987 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.09715 138.3
[M+Na]+ 203.07909 146.4
[M-H]- 179.08259 138.8
[M+NH4]+ 198.12369 158.0
[M+K]+ 219.05303 144.1
[M+H-H2O]+ 163.08713 131.8
[M+HCOO]- 225.08807 156.1
[M+CH3COO]- 239.10372 178.5
[M+Na-2H]- 201.06454 142.0
[M]+ 180.08932 136.4
[M]- 180.09042 136.4
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