CID 168009

Tenitramine

Structural Information

Molecular Formula
C10H20N6O12
SMILES
C(CN(CCO[N+](=O)[O-])CCO[N+](=O)[O-])N(CCO[N+](=O)[O-])CCO[N+](=O)[O-]
InChI
InChI=1S/C10H20N6O12/c17-13(18)25-7-3-11(4-8-26-14(19)20)1-2-12(5-9-27-15(21)22)6-10-28-16(23)24/h1-10H2
InChIKey
DLDKCSIJFIPYRK-UHFFFAOYSA-N
Compound name
2-[2-[bis(2-nitrooxyethyl)amino]ethyl-(2-nitrooxyethyl)amino]ethyl nitrate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

116
Patents

416.11392 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.12120 189.7
[M+Na]+ 439.10314 193.1
[M+NH4]+ 434.14774 197.3
[M+K]+ 455.07708 202.6
[M-H]- 415.10664 186.6
[M+Na-2H]- 437.08859 185.4
[M]+ 416.11337 191.3
[M]- 416.11447 191.3
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