CID 3015566

31431-23-9

Structural Information

Molecular Formula
C10H10N2O3
SMILES
C1CC1C(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-]
InChI
InChI=1S/C10H10N2O3/c11-8-4-3-7(5-9(8)12(14)15)10(13)6-1-2-6/h3-6H,1-2,11H2
InChIKey
CWGGORUVLAOGPD-UHFFFAOYSA-N
Compound name
(4-amino-3-nitrophenyl)-cyclopropylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

206.06914 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.076416 134.3
[M+Na]+ 229.058358 142.8
[M-H]- 205.061864 141.8
[M+NH4]+ 224.102963 147.2
[M+K]+ 245.032298 135.5
[M+H-H2O]+ 189.066400 132.5
[M+HCOO]- 251.067341 159.9
[M+CH3COO]- 265.082991 185.5
[M+Na-2H]- 227.043806 140.7
[M]+ 206.06859142 133.8
[M]- 206.06968858 133.8
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

patents stripe