CID 207685

2-(allyloxy)-5-amino-n-cyclopropylbenzamide

Structural Information

Molecular Formula
C13H16N2O2
SMILES
C=CCOC1=C(C=C(C=C1)N)C(=O)NC2CC2
InChI
InChI=1S/C13H16N2O2/c1-2-7-17-12-6-3-9(14)8-11(12)13(16)15-10-4-5-10/h2-3,6,8,10H,1,4-5,7,14H2,(H,15,16)
InChIKey
RSDATEUHDXWDBN-UHFFFAOYSA-N
Compound name
5-amino-N-cyclopropyl-2-prop-2-enoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.12119 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.128466 148.7
[M+Na]+ 255.110408 156.8
[M-H]- 231.113914 155.9
[M+NH4]+ 250.155013 161.3
[M+K]+ 271.084348 152.4
[M+H-H2O]+ 215.118450 141.7
[M+HCOO]- 277.119391 173.7
[M+CH3COO]- 291.135041 198.7
[M+Na-2H]- 253.095856 152.6
[M]+ 232.12064142 150.5
[M]- 232.12173858 150.5
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.