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

14
Patents

246.10045 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.107726 155.3
[M+Na]+ 269.089668 165.9
[M-H]- 245.093174 158.2
[M+NH4]+ 264.134273 173.5
[M+K]+ 285.063608 163.4
[M+H-H2O]+ 229.097710 148.6
[M+HCOO]- 291.098651 176.4
[M+CH3COO]- 305.114301 191.7
[M+Na-2H]- 267.075116 161.3
[M]+ 246.09990142 161.0
[M]- 246.10099858 161.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe