CID 207705

Brn 2939045

Structural Information

Molecular Formula
C12H14N2O2
SMILES
CN(C)C(=O)C1=C(C=CC(=C1)N)OCC#C
InChI
InChI=1S/C12H14N2O2/c1-4-7-16-11-6-5-9(13)8-10(11)12(15)14(2)3/h1,5-6,8H,7,13H2,2-3H3
InChIKey
NUOIQFHCMUFAHH-UHFFFAOYSA-N
Compound name
5-amino-N,N-dimethyl-2-prop-2-ynoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.10553 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.11281 150.4
[M+Na]+ 241.09475 160.6
[M+NH4]+ 236.13935 154.0
[M+K]+ 257.06869 152.6
[M-H]- 217.09825 144.6
[M+Na-2H]- 239.08020 152.6
[M]+ 218.10498 149.2
[M]- 218.10608 149.2
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.