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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	231.112806	148.3
[M+Na]+	253.094748	162.6
[M-H]-	229.098254	155.1
[M+NH4]+	248.139353	161.1
[M+K]+	269.068688	154.7
[M+H-H2O]+	213.102790	138.4
[M+HCOO]-	275.103731	169.0
[M+CH3COO]-	289.119381	204.2
[M+Na-2H]-	251.080196	152.8
[M]+	230.10498142	146.3
[M]-	230.10607858	146.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.