CID 56944

Brn 5517270

Structural Information

Molecular Formula
C15H31NO3S
SMILES
CCN(CC)COCC1COC(O1)(C)C(C)CSCC
InChI
InChI=1S/C15H31NO3S/c1-6-16(7-2)12-17-9-14-10-18-15(5,19-14)13(4)11-20-8-3/h13-14H,6-12H2,1-5H3
InChIKey
GXIODGOVGNPWFG-UHFFFAOYSA-N
Compound name
N-ethyl-N-[[2-(1-ethylsulfanylpropan-2-yl)-2-methyl-1,3-dioxolan-4-yl]methoxymethyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.20245 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.20973 176.2
[M+Na]+ 328.19167 179.7
[M-H]- 304.19517 181.1
[M+NH4]+ 323.23627 193.3
[M+K]+ 344.16561 181.4
[M+H-H2O]+ 288.19971 170.7
[M+HCOO]- 350.20065 190.7
[M+CH3COO]- 364.21630 209.7
[M+Na-2H]- 326.17712 175.5
[M]+ 305.20190 184.3
[M]- 305.20300 184.3
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

No patent data available for this compound.