CID 15966

Dipropalin

Structural Information

Molecular Formula
C13H19N3O4
SMILES
CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])C)[N+](=O)[O-]
InChI
InChI=1S/C13H19N3O4/c1-4-6-14(7-5-2)13-11(15(17)18)8-10(3)9-12(13)16(19)20/h8-9H,4-7H2,1-3H3
InChIKey
UDVZOMAEGATTSE-UHFFFAOYSA-N
Compound name
4-methyl-2,6-dinitro-N,N-dipropylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

926
Patents

281.13754 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.14482 174.6
[M+Na]+ 304.12676 180.2
[M+NH4]+ 299.17136 182.7
[M+K]+ 320.10070 188.5
[M-H]- 280.13026 169.6
[M+Na-2H]- 302.11221 171.4
[M]+ 281.13699 175.8
[M]- 281.13809 175.8
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