CID 165950377

Tert-butyl n-{1h-pyrrolo[2,3-b]pyridin-2-yl}carbamate

Structural Information

Molecular Formula
C12H15N3O2
SMILES
CC(C)(C)OC(=O)NC1=CC2=C(N1)N=CC=C2
InChI
InChI=1S/C12H15N3O2/c1-12(2,3)17-11(16)15-9-7-8-5-4-6-13-10(8)14-9/h4-7H,1-3H3,(H,13,14)(H,15,16)
InChIKey
LEFCRPRWLYHRQB-UHFFFAOYSA-N
Compound name
tert-butyl N-(1H-pyrrolo[2,3-b]pyridin-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.11642 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.12370 153.1
[M+Na]+ 256.10564 161.7
[M-H]- 232.10914 154.4
[M+NH4]+ 251.15024 170.6
[M+K]+ 272.07958 158.6
[M+H-H2O]+ 216.11368 146.2
[M+HCOO]- 278.11462 173.8
[M+CH3COO]- 292.13027 188.7
[M+Na-2H]- 254.09109 160.3
[M]+ 233.11587 154.7
[M]- 233.11697 154.7
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.