CID 91647755

1795467-03-6

Structural Information

Molecular Formula
C11H18N2O2S
SMILES
CC(C)C1=NC=C(S1)NC(=O)OC(C)(C)C
InChI
InChI=1S/C11H18N2O2S/c1-7(2)9-12-6-8(16-9)13-10(14)15-11(3,4)5/h6-7H,1-5H3,(H,13,14)
InChIKey
KRUSXLGXUGKGMC-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-propan-2-yl-1,3-thiazol-5-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.1089 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.116176 157.5
[M+Na]+ 265.098118 164.4
[M-H]- 241.101624 160.2
[M+NH4]+ 260.142723 176.2
[M+K]+ 281.072058 163.1
[M+H-H2O]+ 225.106160 151.3
[M+HCOO]- 287.107101 173.6
[M+CH3COO]- 301.122751 192.9
[M+Na-2H]- 263.083566 157.4
[M]+ 242.10835142 161.4
[M]- 242.10944858 161.4
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.