CID 86314

1,6-hexanediamine, n1,n6-bis(2-methyl-2-nitropropyl)-

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
2
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 221.2
[M+Na]+ 341.21592 228.8
[M-H]- 317.21942 223.6
[M+NH4]+ 336.26052 223.8
[M+K]+ 357.18986 225.5
[M+H-H2O]+ 301.22396 200.7
[M+HCOO]- 363.22490 233.8
[M+CH3COO]- 377.24055 204.2
[M+Na-2H]- 339.20137 211.1
[M]+ 318.22615 212.9
[M]- 318.22725 212.9
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