CID 10911130

Tert-butyl n-(2-formylpyridin-3-yl)carbamate

Structural Information

Molecular Formula
C11H14N2O3
SMILES
CC(C)(C)OC(=O)NC1=C(N=CC=C1)C=O
InChI
InChI=1S/C11H14N2O3/c1-11(2,3)16-10(15)13-8-5-4-6-12-9(8)7-14/h4-7H,1-3H3,(H,13,15)
InChIKey
AHTZIHDCJWVLKK-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-formylpyridin-3-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

222.10045 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.10773 149.1
[M+Na]+ 245.08967 156.6
[M-H]- 221.09317 151.7
[M+NH4]+ 240.13427 166.1
[M+K]+ 261.06361 155.4
[M+H-H2O]+ 205.09771 142.4
[M+HCOO]- 267.09865 171.4
[M+CH3COO]- 281.11430 189.5
[M+Na-2H]- 243.07512 155.6
[M]+ 222.09990 151.5
[M]- 222.10100 151.5
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