CID 51060013

3-(cyclopropylamino)-1-(2-nitrophenyl)-2-propen-1-one

Structural Information

Molecular Formula
C12H12N2O3
SMILES
C1CC1N/C=C/C(=O)C2=CC=CC=C2[N+](=O)[O-]
InChI
InChI=1S/C12H12N2O3/c15-12(7-8-13-9-5-6-9)10-3-1-2-4-11(10)14(16)17/h1-4,7-9,13H,5-6H2/b8-7+
InChIKey
XDYWRUUEJNJMNR-BQYQJAHWSA-N
Compound name
(E)-3-(cyclopropylamino)-1-(2-nitrophenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.0848 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.092076 143.2
[M+Na]+ 255.074018 150.3
[M-H]- 231.077524 150.6
[M+NH4]+ 250.118623 155.1
[M+K]+ 271.047958 142.4
[M+H-H2O]+ 215.082060 140.9
[M+HCOO]- 277.083001 169.1
[M+CH3COO]- 291.098651 189.3
[M+Na-2H]- 253.059466 150.2
[M]+ 232.08425142 143.2
[M]- 232.08534858 143.2
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.