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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.14992 163.8
[M+Na]+ 288.13186 172.2
[M-H]- 264.13536 164.4
[M+NH4]+ 283.17646 179.7
[M+K]+ 304.10580 170.2
[M+H-H2O]+ 248.13990 156.6
[M+HCOO]- 310.14084 179.1
[M+CH3COO]- 324.15649 196.8
[M+Na-2H]- 286.11731 166.1
[M]+ 265.14209 166.0
[M]- 265.14319 166.0
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