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
4
Annotation Hits

26
References

301
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 161.1
[M+Na]+ 301.11587 169.5
[M-H]- 277.11937 166.3
[M+NH4]+ 296.16047 182.3
[M+K]+ 317.08981 159.2
[M+H-H2O]+ 261.12391 166.4
[M+HCOO]- 323.12485 184.1
[M+CH3COO]- 337.14050 192.7
[M+Na-2H]- 299.10132 168.8
[M]+ 278.12610 160.7
[M]- 278.12720 160.7
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