CID 203588

1-(4-chlorophenoxy)-3-(2-propynyloxy)-2-propanol carbamate

Structural Information

Molecular Formula
C13H14ClNO4
SMILES
C#CCOCC(COC1=CC=C(C=C1)Cl)OC(=O)N
InChI
InChI=1S/C13H14ClNO4/c1-2-7-17-8-12(19-13(15)16)9-18-11-5-3-10(14)4-6-11/h1,3-6,12H,7-9H2,(H2,15,16)
InChIKey
QKOGNBDEVGDRFC-UHFFFAOYSA-N
Compound name
[1-(4-chlorophenoxy)-3-prop-2-ynoxypropan-2-yl] carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.06113 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.06841 158.6
[M+Na]+ 306.05035 168.8
[M+NH4]+ 301.09495 161.4
[M+K]+ 322.02429 160.7
[M-H]- 282.05385 151.2
[M+Na-2H]- 304.03580 160.0
[M]+ 283.06058 157.1
[M]- 283.06168 157.1
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.