CID 78785

Bis(2,2-dinitropropyl)acetal

Structural Information

Molecular Formula
C8H14N4O10
SMILES
CC(OCC(C)([N+](=O)[O-])[N+](=O)[O-])OCC(C)([N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C8H14N4O10/c1-6(21-4-7(2,9(13)14)10(15)16)22-5-8(3,11(17)18)12(19)20/h6H,4-5H2,1-3H3
InChIKey
SIKUYNMGWKGHRS-UHFFFAOYSA-N
Compound name
1-[1-(2,2-dinitropropoxy)ethoxy]-2,2-dinitropropane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

291
Patents

326.07098 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.07826 197.1
[M+Na]+ 349.06020 200.0
[M-H]- 325.06370 205.3
[M+NH4]+ 344.10480 208.0
[M+K]+ 365.03414 194.1
[M+H-H2O]+ 309.06824 192.6
[M+HCOO]- 371.06918 207.3
[M+CH3COO]- 385.08483 189.6
[M+Na-2H]- 347.04565 198.4
[M]+ 326.07043 187.4
[M]- 326.07153 187.4
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