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]+ 206.08118 137.5
[M+Na]+ 228.06312 145.6
[M-H]- 204.06662 145.1
[M+NH4]+ 223.10772 150.8
[M+K]+ 244.03706 138.8
[M+H-H2O]+ 188.07116 135.5
[M+HCOO]- 250.07210 162.5
[M+CH3COO]- 264.08775 183.5
[M+Na-2H]- 226.04857 144.5
[M]+ 205.07335 138.5
[M]- 205.07445 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.