CID 75465241

1706461-16-6

Structural Information

Molecular Formula
C8H11N3O2
SMILES
CN1C2=C(CCNC2)C(=N1)C(=O)O
InChI
InChI=1S/C8H11N3O2/c1-11-6-4-9-3-2-5(6)7(10-11)8(12)13/h9H,2-4H2,1H3,(H,12,13)
InChIKey
SUOHYEHWIUCMSQ-UHFFFAOYSA-N
Compound name
1-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.08513 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.09241 139.4
[M+Na]+ 204.07435 147.5
[M-H]- 180.07785 137.3
[M+NH4]+ 199.11895 156.8
[M+K]+ 220.04829 144.4
[M+H-H2O]+ 164.08239 132.4
[M+HCOO]- 226.08333 154.6
[M+CH3COO]- 240.09898 176.0
[M+Na-2H]- 202.05980 142.9
[M]+ 181.08458 135.8
[M]- 181.08568 135.8
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.