CID 551945

Fyghcwzimwvxel-uhfffaoysa-n

Structural Information

Molecular Formula
C14H19NO4
SMILES
CC(=O)CCC1=CC(=C(C=C1)OC(=O)N(C)C)OC
InChI
InChI=1S/C14H19NO4/c1-10(16)5-6-11-7-8-12(13(9-11)18-4)19-14(17)15(2)3/h7-9H,5-6H2,1-4H3
InChIKey
FYGHCWZIMWVXEL-UHFFFAOYSA-N
Compound name
[2-methoxy-4-(3-oxobutyl)phenyl] N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

265.1314 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.138676 160.2
[M+Na]+ 288.120618 166.6
[M-H]- 264.124124 165.3
[M+NH4]+ 283.165223 177.4
[M+K]+ 304.094558 166.9
[M+H-H2O]+ 248.128660 153.2
[M+HCOO]- 310.129601 184.0
[M+CH3COO]- 324.145251 203.9
[M+Na-2H]- 286.106066 161.6
[M]+ 265.13085142 166.2
[M]- 265.13194858 166.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.