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]+ 310.128526 167.9
[M+Na]+ 332.110468 175.4
[M-H]- 308.113974 169.0
[M+NH4]+ 327.155073 180.2
[M+K]+ 348.084408 174.1
[M+H-H2O]+ 292.118510 154.5
[M+HCOO]- 354.119451 184.6
[M+CH3COO]- 368.135101 212.4
[M+Na-2H]- 330.095916 168.0
[M]+ 309.12070142 168.6
[M]- 309.12179858 168.6
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.