CID 3040435

52174-12-6

Structural Information

Molecular Formula
C12H10N2O3
SMILES
CNC(=O)OC1=C(C=C(C=C1)C#N)OCC#C
InChI
InChI=1S/C12H10N2O3/c1-3-6-16-11-7-9(8-13)4-5-10(11)17-12(15)14-2/h1,4-5,7H,6H2,2H3,(H,14,15)
InChIKey
WDRMZRCPNGJCIL-UHFFFAOYSA-N
Compound name
(4-cyano-2-prop-2-ynoxyphenyl) N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.06914 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.07642 172.7
[M+Na]+ 253.05836 180.6
[M+NH4]+ 248.10296 172.3
[M+K]+ 269.03230 170.7
[M-H]- 229.06186 161.8
[M+Na-2H]- 251.04381 171.0
[M]+ 230.06859 169.3
[M]- 230.06969 169.3
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.