CID 82015

7504-68-9

Structural Information

Molecular Formula
C13H26N2O4
SMILES
CCCCOCN1COCN(C1=O)COCCCC
InChI
InChI=1S/C13H26N2O4/c1-3-5-7-17-9-14-11-19-12-15(13(14)16)10-18-8-6-4-2/h3-12H2,1-2H3
InChIKey
YOBPNEJRBSOFAJ-UHFFFAOYSA-N
Compound name
3,5-bis(butoxymethyl)-1,3,5-oxadiazinan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

274.18927 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.196546 166.7
[M+Na]+ 297.178488 171.3
[M-H]- 273.181994 166.7
[M+NH4]+ 292.223093 179.0
[M+K]+ 313.152428 171.2
[M+H-H2O]+ 257.186530 158.1
[M+HCOO]- 319.187471 183.0
[M+CH3COO]- 333.203121 199.5
[M+Na-2H]- 295.163936 169.3
[M]+ 274.18872142 171.3
[M]- 274.18981858 171.3
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