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 162.9
[M+Na]+ 302.09992 170.3
[M-H]- 278.10342 163.9
[M+NH4]+ 297.14452 176.2
[M+K]+ 318.07386 168.3
[M+H-H2O]+ 262.10796 149.6
[M+HCOO]- 324.10890 179.8
[M+CH3COO]- 338.12455 206.7
[M+Na-2H]- 300.08537 163.9
[M]+ 279.11015 161.7
[M]- 279.11125 161.7
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

patents stripe