CID 119030930

Tert-butyl 4-cyano-1h-pyrrolo[3,2-c]pyridine-1-carboxylate

Structural Information

Molecular Formula
C13H13N3O2
SMILES
CC(C)(C)OC(=O)N1C=CC2=C1C=CN=C2C#N
InChI
InChI=1S/C13H13N3O2/c1-13(2,3)18-12(17)16-7-5-9-10(8-14)15-6-4-11(9)16/h4-7H,1-3H3
InChIKey
RXJDTYOLHQVLTJ-UHFFFAOYSA-N
Compound name
tert-butyl 4-cyanopyrrolo[3,2-c]pyridine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.10077 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.10805 159.2
[M+Na]+ 266.08999 170.9
[M-H]- 242.09349 160.7
[M+NH4]+ 261.13459 175.2
[M+K]+ 282.06393 166.9
[M+H-H2O]+ 226.09803 145.2
[M+HCOO]- 288.09897 176.1
[M+CH3COO]- 302.11462 202.8
[M+Na-2H]- 264.07544 163.9
[M]+ 243.10022 157.9
[M]- 243.10132 157.9
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

No patent data available for this compound.