CID 213378

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

Structural Information

Molecular Formula
C13H14ClNO4
SMILES
C#CCOCC(COC1=CC(=CC=C1)Cl)OC(=O)N
InChI
InChI=1S/C13H14ClNO4/c1-2-6-17-8-12(19-13(15)16)9-18-11-5-3-4-10(14)7-11/h1,3-5,7,12H,6,8-9H2,(H2,15,16)
InChIKey
UOFHYYHPPXSOSB-UHFFFAOYSA-N
Compound name
[1-(3-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 161.4
[M+Na]+ 306.05035 170.3
[M-H]- 282.05385 162.7
[M+NH4]+ 301.09495 175.5
[M+K]+ 322.02429 165.9
[M+H-H2O]+ 266.05839 149.6
[M+HCOO]- 328.05933 174.5
[M+CH3COO]- 342.07498 205.4
[M+Na-2H]- 304.03580 162.5
[M]+ 283.06058 160.5
[M]- 283.06168 160.5
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.