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]+ 234.123696 153.1
[M+Na]+ 256.105638 161.7
[M-H]- 232.109144 154.4
[M+NH4]+ 251.150243 170.6
[M+K]+ 272.079578 158.6
[M+H-H2O]+ 216.113680 146.2
[M+HCOO]- 278.114621 173.8
[M+CH3COO]- 292.130271 188.7
[M+Na-2H]- 254.091086 160.3
[M]+ 233.11587142 154.7
[M]- 233.11696858 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.