CID 25220753

1142210-83-0

Structural Information

Molecular Formula

C₁₃H₁₉N₃O₃

SMILES

CC(C)(C)OC(=O)N1CCC2=C(C1)C(=NN2C)C=O

InChI

InChI=1S/C13H19N3O3/c1-13(2,3)19-12(18)16-6-5-11-9(7-16)10(8-17)14-15(11)4/h8H,5-7H2,1-4H3

InChIKey

FGTCVMFRVPGFFS-UHFFFAOYSA-N

Compound name

tert-butyl 3-formyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 265.14264 Da
Monoisotopic Mass: 0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	266.149916	163.8
[M+Na]+	288.131858	172.2
[M-H]-	264.135364	164.4
[M+NH4]+	283.176463	179.7
[M+K]+	304.105798	170.2
[M+H-H2O]+	248.139900	156.6
[M+HCOO]-	310.140841	179.1
[M+CH3COO]-	324.156491	196.8
[M+Na-2H]-	286.117306	166.1
[M]+	265.14209142	166.0
[M]-	265.14318858	166.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe