CID 204378

16221-67-3

Structural Information

Molecular Formula
C15H19NO4
SMILES
C#CCOCC(COCCC1=CC=CC=C1)OC(=O)N
InChI
InChI=1S/C15H19NO4/c1-2-9-18-11-14(20-15(16)17)12-19-10-8-13-6-4-3-5-7-13/h1,3-7,14H,8-12H2,(H2,16,17)
InChIKey
GIFPZZQQRZLDRV-UHFFFAOYSA-N
Compound name
[1-(2-phenylethoxy)-3-prop-2-ynoxypropan-2-yl] carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.1314 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.13868 165.1
[M+Na]+ 300.12062 173.9
[M+NH4]+ 295.16522 167.3
[M+K]+ 316.09456 165.7
[M-H]- 276.12412 157.5
[M+Na-2H]- 298.10607 165.9
[M]+ 277.13085 163.0
[M]- 277.13195 163.0
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.