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]+ 250.10739 157.8
[M+Na]+ 272.08933 164.9
[M-H]- 248.09283 158.6
[M+NH4]+ 267.13393 171.9
[M+K]+ 288.06327 162.2
[M+H-H2O]+ 232.09737 144.6
[M+HCOO]- 294.09831 174.7
[M+CH3COO]- 308.11396 201.0
[M+Na-2H]- 270.07478 159.6
[M]+ 249.09956 154.5
[M]- 249.10066 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.