CID 207697

30533-75-6

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.10553 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.11281 152.3
[M+Na]+ 241.09475 160.9
[M-H]- 217.09825 153.9
[M+NH4]+ 236.13935 168.0
[M+K]+ 257.06869 157.4
[M+H-H2O]+ 201.10279 139.7
[M+HCOO]- 263.10373 170.8
[M+CH3COO]- 277.11938 200.5
[M+Na-2H]- 239.08020 154.5
[M]+ 218.10498 146.6
[M]- 218.10608 146.6
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.