CID 369336

Nsc641090

Structural Information

Molecular Formula
C10H18O2S2
SMILES
CCC(=O)OC(C)CC1SCCCS1
InChI
InChI=1S/C10H18O2S2/c1-3-9(11)12-8(2)7-10-13-5-4-6-14-10/h8,10H,3-7H2,1-2H3
InChIKey
NSALXYFFKYOGBT-UHFFFAOYSA-N
Compound name
1-(1,3-dithian-2-yl)propan-2-yl propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.07483 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.08211 151.3
[M+Na]+ 257.06405 154.7
[M-H]- 233.06755 153.3
[M+NH4]+ 252.10865 169.2
[M+K]+ 273.03799 152.2
[M+H-H2O]+ 217.07209 145.3
[M+HCOO]- 279.07303 158.6
[M+CH3COO]- 293.08868 188.2
[M+Na-2H]- 255.04950 148.8
[M]+ 234.07428 151.2
[M]- 234.07538 151.2
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.