CID 3071726

Brn 5435497

Structural Information

Molecular Formula
C12H23NO4S
SMILES
CCCSCC(C)C1(OCC(O1)COC(=O)N)C
InChI
InChI=1S/C12H23NO4S/c1-4-5-18-8-9(2)12(3)16-7-10(17-12)6-15-11(13)14/h9-10H,4-8H2,1-3H3,(H2,13,14)
InChIKey
ONIUDIODTAKSCS-UHFFFAOYSA-N
Compound name
[2-methyl-2-(1-propylsulfanylpropan-2-yl)-1,3-dioxolan-4-yl]methyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.13477 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.14205 165.7
[M+Na]+ 300.12399 170.2
[M-H]- 276.12749 169.2
[M+NH4]+ 295.16859 182.7
[M+K]+ 316.09793 171.2
[M+H-H2O]+ 260.13203 160.8
[M+HCOO]- 322.13297 179.4
[M+CH3COO]- 336.14862 198.4
[M+Na-2H]- 298.10944 165.3
[M]+ 277.13422 170.5
[M]- 277.13532 170.5
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.