CID 67005

Moskene

Structural Information

Molecular Formula
C14H18N2O4
SMILES
CC1=C(C=C2C(=C1[N+](=O)[O-])C(CC2(C)C)(C)C)[N+](=O)[O-]
InChI
InChI=1S/C14H18N2O4/c1-8-10(15(17)18)6-9-11(12(8)16(19)20)14(4,5)7-13(9,2)3/h6H,7H2,1-5H3
InChIKey
UHWURQRPEIFIAK-UHFFFAOYSA-N
Compound name
1,1,3,3,5-pentamethyl-4,6-dinitro-2H-indene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

26
References

289
Patents

278.12665 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.13393 166.0
[M+Na]+ 301.11587 178.5
[M+NH4]+ 296.16047 176.3
[M+K]+ 317.08981 175.6
[M-H]- 277.11937 170.1
[M+Na-2H]- 299.10132 171.4
[M]+ 278.12610 169.1
[M]- 278.12720 169.1
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