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]+ 243.11618 157.5
[M+Na]+ 265.09812 164.4
[M-H]- 241.10162 160.2
[M+NH4]+ 260.14272 176.2
[M+K]+ 281.07206 163.1
[M+H-H2O]+ 225.10616 151.3
[M+HCOO]- 287.10710 173.6
[M+CH3COO]- 301.12275 192.9
[M+Na-2H]- 263.08357 157.4
[M]+ 242.10835 161.4
[M]- 242.10945 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.