CID 22034247

Tert-butyl n-(5-formylpyridin-2-yl)carbamate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

182
Patents

222.10045 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.107726 149.1
[M+Na]+ 245.089668 156.6
[M-H]- 221.093174 151.7
[M+NH4]+ 240.134273 166.1
[M+K]+ 261.063608 155.4
[M+H-H2O]+ 205.097710 142.4
[M+HCOO]- 267.098651 171.4
[M+CH3COO]- 281.114301 189.5
[M+Na-2H]- 243.075116 155.6
[M]+ 222.09990142 151.5
[M]- 222.10099858 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

No literature data available for this compound.

Patent stripe

patents stripe