CID 204382

16222-54-1

Structural Information

Molecular Formula
C15H19NO6
SMILES
COC1=C(C(=CC=C1)OC)OCC(COCC#C)OC(=O)N
InChI
InChI=1S/C15H19NO6/c1-4-8-20-9-11(22-15(16)17)10-21-14-12(18-2)6-5-7-13(14)19-3/h1,5-7,11H,8-10H2,2-3H3,(H2,16,17)
InChIKey
UOPZXKJWRBRFRZ-UHFFFAOYSA-N
Compound name
[1-(2,6-dimethoxyphenoxy)-3-prop-2-ynoxypropan-2-yl] carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.12125 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.12853 167.4
[M+Na]+ 332.11047 175.9
[M+NH4]+ 327.15507 168.5
[M+K]+ 348.08441 169.2
[M-H]- 308.11397 158.9
[M+Na-2H]- 330.09592 167.1
[M]+ 309.12070 165.0
[M]- 309.12180 165.0
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.