CID 86314

114136-87-7

Structural Information

Molecular Formula
C14H30N4O4
SMILES
CC(C)(CNCCCCCCNCC(C)(C)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C14H30N4O4/c1-13(2,17(19)20)11-15-9-7-5-6-8-10-16-12-14(3,4)18(21)22/h15-16H,5-12H2,1-4H3
InChIKey
RWKWYSIDDAGTKA-UHFFFAOYSA-N
Compound name
N,N'-bis(2-methyl-2-nitropropyl)hexane-1,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

504
Patents

318.2267 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.23398 197.1
[M+Na]+ 341.21592 200.9
[M+NH4]+ 336.26052 204.4
[M+K]+ 357.18986 208.7
[M-H]- 317.21942 191.7
[M+Na-2H]- 339.20137 191.7
[M]+ 318.22615 197.8
[M]- 318.22725 197.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe