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

35
Patents

233.10857 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.11585 155.4
[M+Na]+ 256.09779 160.4
[M-H]- 232.10129 155.3
[M+NH4]+ 251.14239 173.5
[M+K]+ 272.07173 159.4
[M+H-H2O]+ 216.10583 149.7
[M+HCOO]- 278.10677 170.9
[M+CH3COO]- 292.12242 191.9
[M+Na-2H]- 254.08324 155.9
[M]+ 233.10802 160.2
[M]- 233.10912 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