CID 4149182

61997-86-2

Structural Information

Molecular Formula
C14H16N2O3
SMILES
CC1(CC(=CC(=O)C1)NC2=CC(=CC=C2)[N+](=O)[O-])C
InChI
InChI=1S/C14H16N2O3/c1-14(2)8-11(7-13(17)9-14)15-10-4-3-5-12(6-10)16(18)19/h3-7,15H,8-9H2,1-2H3
InChIKey
AWQCYWVLVFABER-UHFFFAOYSA-N
Compound name
5,5-dimethyl-3-(3-nitroanilino)cyclohex-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.1161 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.12338 157.8
[M+Na]+ 283.10532 170.9
[M+NH4]+ 278.14992 167.2
[M+K]+ 299.07926 164.8
[M-H]- 259.10882 163.5
[M+Na-2H]- 281.09077 166.5
[M]+ 260.11555 161.3
[M]- 260.11665 161.3
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.