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]+ 244.108046 159.2
[M+Na]+ 266.089988 170.9
[M-H]- 242.093494 160.7
[M+NH4]+ 261.134593 175.2
[M+K]+ 282.063928 166.9
[M+H-H2O]+ 226.098030 145.2
[M+HCOO]- 288.098971 176.1
[M+CH3COO]- 302.114621 202.8
[M+Na-2H]- 264.075436 163.9
[M]+ 243.10022142 157.9
[M]- 243.10131858 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.