CID 60074739

1337606-95-7

Structural Information

Molecular Formula

C₁₂H₁₆N₂O₄

SMILES

CC(C)(C)OC(=O)NC1=CN=C(C=C1C=O)OC

InChI

InChI=1S/C12H16N2O4/c1-12(2,3)18-11(16)14-9-6-13-10(17-4)5-8(9)7-15/h5-7H,1-4H3,(H,14,16)

InChIKey

INEPSPSXWMJENA-UHFFFAOYSA-N

Compound name

tert-butyl N-(4-formyl-6-methoxy-3-pyridinyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 252.11101 Da
Monoisotopic Mass: 1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	253.118286	156.0
[M+Na]+	275.100228	163.8
[M-H]-	251.103734	158.8
[M+NH4]+	270.144833	172.0
[M+K]+	291.074168	163.0
[M+H-H2O]+	235.108270	149.2
[M+HCOO]-	297.109211	178.1
[M+CH3COO]-	311.124861	196.0
[M+Na-2H]-	273.085676	161.4
[M]+	252.11046142	160.6
[M]-	252.11155858	160.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe