CID 57355056

Tert-butyl 3-formyl-1h-pyrrolo[3,2-c]pyridine-1-carboxylate

Structural Information

Molecular Formula
C13H14N2O3
SMILES
CC(C)(C)OC(=O)N1C=C(C2=C1C=CN=C2)C=O
InChI
InChI=1S/C13H14N2O3/c1-13(2,3)18-12(17)15-7-9(8-16)10-6-14-5-4-11(10)15/h4-8H,1-3H3
InChIKey
WDRSHMWGKULOGC-UHFFFAOYSA-N
Compound name
tert-butyl 3-formylpyrrolo[3,2-c]pyridine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

246.10045 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.10773 154.3
[M+Na]+ 269.08967 166.6
[M+NH4]+ 264.13427 160.6
[M+K]+ 285.06361 163.6
[M-H]- 245.09317 153.6
[M+Na-2H]- 267.07512 159.2
[M]+ 246.09990 155.7
[M]- 246.10100 155.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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