CID 138991392

1401900-65-9

Structural Information

Molecular Formula
C12H16N2O4
SMILES
CC(C)(C)OC(=O)NC1=C(N=C(C=C1)OC)C=O
InChI
InChI=1S/C12H16N2O4/c1-12(2,3)18-11(16)14-8-5-6-10(17-4)13-9(8)7-15/h5-7H,1-4H3,(H,14,16)
InChIKey
IOKQFMQIRHZYKJ-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-formyl-6-methoxypyridin-3-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.11101 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.11829 156.0
[M+Na]+ 275.10023 163.8
[M-H]- 251.10373 158.8
[M+NH4]+ 270.14483 172.0
[M+K]+ 291.07417 163.0
[M+H-H2O]+ 235.10827 149.2
[M+HCOO]- 297.10921 178.1
[M+CH3COO]- 311.12486 196.0
[M+Na-2H]- 273.08568 161.4
[M]+ 252.11046 160.6
[M]- 252.11156 160.6
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.