CID 16740544

778617-61-1

Structural Information

Molecular Formula
C14H19NO4
SMILES
CC(C)(C)OC(=O)NCC(=O)C1=CC=C(C=C1)OC
InChI
InChI=1S/C14H19NO4/c1-14(2,3)19-13(17)15-9-12(16)10-5-7-11(18-4)8-6-10/h5-8H,9H2,1-4H3,(H,15,17)
InChIKey
MDFLXFYNPWKUEE-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-(4-methoxyphenyl)-2-oxoethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

265.1314 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.13868 160.9
[M+Na]+ 288.12062 166.7
[M-H]- 264.12412 164.5
[M+NH4]+ 283.16522 177.3
[M+K]+ 304.09456 166.1
[M+H-H2O]+ 248.12866 154.5
[M+HCOO]- 310.12960 182.7
[M+CH3COO]- 324.14525 198.9
[M+Na-2H]- 286.10607 164.6
[M]+ 265.13085 164.7
[M]- 265.13195 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

patents stripe