CID 137944595

2008491-78-7

Structural Information

Molecular Formula
C13H18N2O4
SMILES
CC(C)(C)OC(=O)NCC(=O)C1=CN=C(C=C1)OC
InChI
InChI=1S/C13H18N2O4/c1-13(2,3)19-12(17)15-8-10(16)9-5-6-11(18-4)14-7-9/h5-7H,8H2,1-4H3,(H,15,17)
InChIKey
YFJZTNSBRRPLGP-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-(6-methoxy-3-pyridinyl)-2-oxoethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.12665 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.133926 160.8
[M+Na]+ 289.115868 167.0
[M-H]- 265.119374 163.1
[M+NH4]+ 284.160473 175.8
[M+K]+ 305.089808 166.4
[M+H-H2O]+ 249.123910 153.6
[M+HCOO]- 311.124851 181.5
[M+CH3COO]- 325.140501 198.6
[M+Na-2H]- 287.101316 165.2
[M]+ 266.12610142 164.7
[M]- 266.12719858 164.7
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.