CID 19403

3692-90-8

Structural Information

Molecular Formula
C11H11NO3
SMILES
CNC(=O)OC1=CC=CC(=C1)OCC#C
InChI
InChI=1S/C11H11NO3/c1-3-7-14-9-5-4-6-10(8-9)15-11(13)12-2/h1,4-6,8H,7H2,2H3,(H,12,13)
InChIKey
QEAULWXPIOSTCA-UHFFFAOYSA-N
Compound name
(3-prop-2-ynoxyphenyl) N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

205.0739 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.081176 145.5
[M+Na]+ 228.063118 154.7
[M-H]- 204.066624 147.5
[M+NH4]+ 223.107723 162.0
[M+K]+ 244.037058 151.9
[M+H-H2O]+ 188.071160 133.1
[M+HCOO]- 250.072101 164.4
[M+CH3COO]- 264.087751 194.0
[M+Na-2H]- 226.048566 149.8
[M]+ 205.07335142 142.1
[M]- 205.07444858 142.1
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

patents stripe