CID 204376

Brn 1990469

Structural Information

Molecular Formula
C13H15NO4
SMILES
C#CCOCC(COC1=CC=CC=C1)OC(=O)N
InChI
InChI=1S/C13H15NO4/c1-2-8-16-9-12(18-13(14)15)10-17-11-6-4-3-5-7-11/h1,3-7,12H,8-10H2,(H2,14,15)
InChIKey
OQFCXAPFTKYGFA-UHFFFAOYSA-N
Compound name
(1-phenoxy-3-prop-2-ynoxypropan-2-yl) carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.10011 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.107386 157.8
[M+Na]+ 272.089328 164.9
[M-H]- 248.092834 158.6
[M+NH4]+ 267.133933 171.9
[M+K]+ 288.063268 162.2
[M+H-H2O]+ 232.097370 144.6
[M+HCOO]- 294.098311 174.7
[M+CH3COO]- 308.113961 201.0
[M+Na-2H]- 270.074776 159.6
[M]+ 249.09956142 154.5
[M]- 249.10065858 154.5
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.