CID 6444767

P 244

Structural Information

Molecular Formula
C16H32N2O4
SMILES
C[N+](C)(C)CC1COC(O1)/C=C/C2OCC(O2)C[N+](C)(C)C
InChI
InChI=1S/C16H32N2O4/c1-17(2,3)9-13-11-19-15(21-13)7-8-16-20-12-14(22-16)10-18(4,5)6/h7-8,13-16H,9-12H2,1-6H3/q+2/b8-7+
InChIKey
HNWSUXZORSGSBU-BQYQJAHWSA-N
Compound name
trimethyl-[[2-[(E)-2-[4-[(trimethylazaniumyl)methyl]-1,3-dioxolan-2-yl]ethenyl]-1,3-dioxolan-4-yl]methyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.2362 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.24348 173.8
[M+Na]+ 339.22542 176.7
[M-H]- 315.22892 184.4
[M+NH4]+ 334.27002 186.9
[M+K]+ 355.19936 169.5
[M+H-H2O]+ 299.23346 175.0
[M+HCOO]- 361.23440 190.8
[M+CH3COO]- 375.25005 202.7
[M+Na-2H]- 337.21087 184.6
[M]+ 316.23565 174.8
[M]- 316.23675 174.8
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

No patent data available for this compound.