CID 82395372

3-(1-methyl-4,5,6,7-tetrahydro-1h-indazol-6-yl)propanoic acid

Structural Information

Molecular Formula
C11H16N2O2
SMILES
CN1C2=C(CCC(C2)CCC(=O)O)C=N1
InChI
InChI=1S/C11H16N2O2/c1-13-10-6-8(3-5-11(14)15)2-4-9(10)7-12-13/h7-8H,2-6H2,1H3,(H,14,15)
InChIKey
DMBPUINEKKTEFE-UHFFFAOYSA-N
Compound name
3-(1-methyl-4,5,6,7-tetrahydroindazol-6-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.12119 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.12847 147.5
[M+Na]+ 231.11041 157.6
[M+NH4]+ 226.15501 154.7
[M+K]+ 247.08435 154.2
[M-H]- 207.11391 147.1
[M+Na-2H]- 229.09586 150.1
[M]+ 208.12064 148.5
[M]- 208.12174 148.5
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.