CID 204380

16222-52-9

Structural Information

Molecular Formula
C14H17NO5
SMILES
COC1=CC=C(C=C1)OCC(COCC#C)OC(=O)N
InChI
InChI=1S/C14H17NO5/c1-3-8-18-9-13(20-14(15)16)10-19-12-6-4-11(17-2)5-7-12/h1,4-7,13H,8-10H2,2H3,(H2,15,16)
InChIKey
IPNXWGYCLQHBMK-UHFFFAOYSA-N
Compound name
[1-(4-methoxyphenoxy)-3-prop-2-ynoxypropan-2-yl] carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.1107 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.11798 162.2
[M+Na]+ 302.09992 171.1
[M+NH4]+ 297.14452 164.1
[M+K]+ 318.07386 163.9
[M-H]- 278.10342 154.2
[M+Na-2H]- 300.08537 162.7
[M]+ 279.11015 160.0
[M]- 279.11125 160.0
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.