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]+ 284.068406 161.4
[M+Na]+ 306.050348 170.3
[M-H]- 282.053854 162.7
[M+NH4]+ 301.094953 175.5
[M+K]+ 322.024288 165.9
[M+H-H2O]+ 266.058390 149.6
[M+HCOO]- 328.059331 174.5
[M+CH3COO]- 342.074981 205.4
[M+Na-2H]- 304.035796 162.5
[M]+ 283.06058142 160.5
[M]- 283.06167858 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.