CID 121354

1112-92-1

Structural Information

Molecular Formula
C9H18N2O3S
SMILES
CCCC(C)(COC(=O)N)CSC(=O)N
InChI
InChI=1S/C9H18N2O3S/c1-3-4-9(2,5-14-7(10)12)6-15-8(11)13/h3-6H2,1-2H3,(H2,10,12)(H2,11,13)
InChIKey
OSLHKMKFZBQLAN-UHFFFAOYSA-N
Compound name
[2-(carbamoylsulfanylmethyl)-2-methylpentyl] carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.10382 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.11110 154.9
[M+Na]+ 257.09304 159.1
[M-H]- 233.09654 153.5
[M+NH4]+ 252.13764 171.8
[M+K]+ 273.06698 157.5
[M+H-H2O]+ 217.10108 148.7
[M+HCOO]- 279.10202 170.2
[M+CH3COO]- 293.11767 193.4
[M+Na-2H]- 255.07849 154.1
[M]+ 234.10327 156.3
[M]- 234.10437 156.3
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.