CID 207701

Brn 2942113

Structural Information

Molecular Formula
C13H14N2O2
SMILES
C#CCOC1=C(C=C(C=C1)N)C(=O)NC2CC2
InChI
InChI=1S/C13H14N2O2/c1-2-7-17-12-6-3-9(14)8-11(12)13(16)15-10-4-5-10/h1,3,6,8,10H,4-5,7,14H2,(H,15,16)
InChIKey
RBHMPGGPZUKPLD-UHFFFAOYSA-N
Compound name
5-amino-N-cyclopropyl-2-prop-2-ynoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.10553 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.11281 153.7
[M+Na]+ 253.09475 164.9
[M+NH4]+ 248.13935 158.1
[M+K]+ 269.06869 157.8
[M-H]- 229.09825 155.3
[M+Na-2H]- 251.08020 158.8
[M]+ 230.10498 155.8
[M]- 230.10608 155.8
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.