CID 12441786

67159-79-9

Structural Information

Molecular Formula
C11H11NO3
SMILES
CC1(CC(=O)C2=C1C=CC(=C2)[N+](=O)[O-])C
InChI
InChI=1S/C11H11NO3/c1-11(2)6-10(13)8-5-7(12(14)15)3-4-9(8)11/h3-5H,6H2,1-2H3
InChIKey
QPCPKZFKKMWXQT-UHFFFAOYSA-N
Compound name
3,3-dimethyl-6-nitro-2H-inden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

205.0739 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.08118 142.1
[M+Na]+ 228.06312 155.0
[M+NH4]+ 223.10772 152.3
[M+K]+ 244.03706 151.2
[M-H]- 204.06662 145.3
[M+Na-2H]- 226.04857 148.2
[M]+ 205.07335 144.8
[M]- 205.07445 144.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe