CID 5284389

Meptyldinocap

Structural Information

Molecular Formula
C18H24N2O6
SMILES
CCCCCCC(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])OC(=O)/C=C/C
InChI
InChI=1S/C18H24N2O6/c1-4-6-7-8-10-13(3)15-11-14(19(22)23)12-16(20(24)25)18(15)26-17(21)9-5-2/h5,9,11-13H,4,6-8,10H2,1-3H3/b9-5+
InChIKey
NIOPZPCMRQGZCE-WEVVVXLNSA-N
Compound name
(2,4-dinitro-6-octan-2-ylphenyl) (E)-but-2-enoate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

14
References

10599
Patents

364.16342 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.17070 186.0
[M+Na]+ 387.15264 191.8
[M+NH4]+ 382.19724 194.4
[M+K]+ 403.12658 200.8
[M-H]- 363.15614 181.5
[M+Na-2H]- 385.13809 182.4
[M]+ 364.16287 187.6
[M]- 364.16397 187.6
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