CID 137943628

Tert-butyl n-methyl-n-(1,3-thiazol-4-yl)carbamate

Structural Information

Molecular Formula
C9H14N2O2S
SMILES
CC(C)(C)OC(=O)N(C)C1=CSC=N1
InChI
InChI=1S/C9H14N2O2S/c1-9(2,3)13-8(12)11(4)7-5-14-6-10-7/h5-6H,1-4H3
InChIKey
KHVMZVYPSYTBNQ-UHFFFAOYSA-N
Compound name
tert-butyl N-methyl-N-(1,3-thiazol-4-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.0776 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.08488 148.8
[M+Na]+ 237.06682 156.3
[M-H]- 213.07032 153.0
[M+NH4]+ 232.11142 169.1
[M+K]+ 253.04076 156.3
[M+H-H2O]+ 197.07486 142.5
[M+HCOO]- 259.07580 167.2
[M+CH3COO]- 273.09145 188.4
[M+Na-2H]- 235.05227 150.8
[M]+ 214.07705 153.6
[M]- 214.07815 153.6
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.