CID 3047938

Usaf cs-1744

Structural Information

Molecular Formula
C13H27NO5
SMILES
CCCOCC(COCCC)(COCCC)[N+](=O)[O-]
InChI
InChI=1S/C13H27NO5/c1-4-7-17-10-13(14(15)16,11-18-8-5-2)12-19-9-6-3/h4-12H2,1-3H3
InChIKey
QXYNUWAESNQJAV-UHFFFAOYSA-N
Compound name
2-nitro-1,3-dipropoxy-2-(propoxymethyl)propane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.18893 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.19621 170.2
[M+Na]+ 300.17815 174.1
[M-H]- 276.18165 169.5
[M+NH4]+ 295.22275 185.2
[M+K]+ 316.15209 169.9
[M+H-H2O]+ 260.18619 168.9
[M+HCOO]- 322.18713 200.4
[M+CH3COO]- 336.20278 195.9
[M+Na-2H]- 298.16360 175.8
[M]+ 277.18838 176.8
[M]- 277.18948 176.8
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