CID 207696

Brn 2938623

Structural Information

Molecular Formula
C11H12N2O2
SMILES
CNC(=O)C1=C(C=CC(=C1)N)OCC#C
InChI
InChI=1S/C11H12N2O2/c1-3-6-15-10-5-4-8(12)7-9(10)11(14)13-2/h1,4-5,7H,6,12H2,2H3,(H,13,14)
InChIKey
OTQKJRWGUZUOHM-UHFFFAOYSA-N
Compound name
5-amino-N-methyl-2-prop-2-ynoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.08987 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.09715 148.4
[M+Na]+ 227.07909 157.4
[M-H]- 203.08259 150.1
[M+NH4]+ 222.12369 164.5
[M+K]+ 243.05303 154.1
[M+H-H2O]+ 187.08713 136.0
[M+HCOO]- 249.08807 167.2
[M+CH3COO]- 263.10372 197.8
[M+Na-2H]- 225.06454 151.0
[M]+ 204.08932 142.4
[M]- 204.09042 142.4
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.