CID 11053542

Tert-butyl n-[4-(methylsulfanyl)-1-oxobutan-2-yl]carbamate

Structural Information

Molecular Formula
C10H19NO3S
SMILES
CC(C)(C)OC(=O)NC(CCSC)C=O
InChI
InChI=1S/C10H19NO3S/c1-10(2,3)14-9(13)11-8(7-12)5-6-15-4/h7-8H,5-6H2,1-4H3,(H,11,13)
InChIKey
AAJVCQPQGWUYMD-UHFFFAOYSA-N
Compound name
tert-butyl N-(4-methylsulfanyl-1-oxobutan-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

233.10857 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.115846 155.4
[M+Na]+ 256.097788 160.4
[M-H]- 232.101294 155.3
[M+NH4]+ 251.142393 173.5
[M+K]+ 272.071728 159.4
[M+H-H2O]+ 216.105830 149.7
[M+HCOO]- 278.106771 170.9
[M+CH3COO]- 292.122421 191.9
[M+Na-2H]- 254.083236 155.9
[M]+ 233.10802142 160.2
[M]- 233.10911858 160.2
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

patents stripe