CID 61055692

1-cyclopropyl-2-(2-nitrophenyl)ethan-1-one

Structural Information

Molecular Formula
C11H11NO3
SMILES
C1CC1C(=O)CC2=CC=CC=C2[N+](=O)[O-]
InChI
InChI=1S/C11H11NO3/c13-11(8-5-6-8)7-9-3-1-2-4-10(9)12(14)15/h1-4,8H,5-7H2
InChIKey
JNRZUKPLNJZWNF-UHFFFAOYSA-N
Compound name
1-cyclopropyl-2-(2-nitrophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.0739 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.081176 137.5
[M+Na]+ 228.063118 145.6
[M-H]- 204.066624 145.1
[M+NH4]+ 223.107723 150.8
[M+K]+ 244.037058 138.8
[M+H-H2O]+ 188.071160 135.5
[M+HCOO]- 250.072101 162.5
[M+CH3COO]- 264.087751 183.5
[M+Na-2H]- 226.048566 144.5
[M]+ 205.07335142 138.5
[M]- 205.07444858 138.5
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.