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]+ 233.12847 148.7
[M+Na]+ 255.11041 156.8
[M-H]- 231.11391 155.9
[M+NH4]+ 250.15501 161.3
[M+K]+ 271.08435 152.4
[M+H-H2O]+ 215.11845 141.7
[M+HCOO]- 277.11939 173.7
[M+CH3COO]- 291.13504 198.7
[M+Na-2H]- 253.09586 152.6
[M]+ 232.12064 150.5
[M]- 232.12174 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.