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

1216
Patents

281.13754 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.144816 166.5
[M+Na]+ 304.126758 171.4
[M-H]- 280.130264 171.2
[M+NH4]+ 299.171363 181.0
[M+K]+ 320.100698 162.3
[M+H-H2O]+ 264.134800 168.2
[M+HCOO]- 326.135741 192.4
[M+CH3COO]- 340.151391 198.6
[M+Na-2H]- 302.112206 171.8
[M]+ 281.13699142 166.6
[M]- 281.13808858 166.6
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