CID 51072296

1256643-36-3

Structural Information

Molecular Formula
C9H13N3O2
SMILES
CCN1C2=C(CNCC2)C(=N1)C(=O)O
InChI
InChI=1S/C9H13N3O2/c1-2-12-7-3-4-10-5-6(7)8(11-12)9(13)14/h10H,2-5H2,1H3,(H,13,14)
InChIKey
NIIHZURZIJHFGA-UHFFFAOYSA-N
Compound name
1-ethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

195.10077 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.10805 143.9
[M+Na]+ 218.08999 151.5
[M-H]- 194.09349 141.6
[M+NH4]+ 213.13459 160.8
[M+K]+ 234.06393 148.2
[M+H-H2O]+ 178.09803 136.7
[M+HCOO]- 240.09897 158.8
[M+CH3COO]- 254.11462 179.0
[M+Na-2H]- 216.07544 146.9
[M]+ 195.10022 140.6
[M]- 195.10132 140.6
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