CID 71758090

1416712-48-5

Structural Information

Molecular Formula
C9H13ClN2O2S
SMILES
CC(C)(C)OC(=O)NCC1=CN=C(S1)Cl
InChI
InChI=1S/C9H13ClN2O2S/c1-9(2,3)14-8(13)12-5-6-4-11-7(10)15-6/h4H,5H2,1-3H3,(H,12,13)
InChIKey
WFLJOXKLVNYGCK-UHFFFAOYSA-N
Compound name
tert-butyl N-[(2-chloro-1,3-thiazol-5-yl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

248.03862 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.04590 155.2
[M+Na]+ 271.02784 163.9
[M-H]- 247.03134 158.2
[M+NH4]+ 266.07244 174.5
[M+K]+ 287.00178 160.6
[M+H-H2O]+ 231.03588 149.9
[M+HCOO]- 293.03682 168.4
[M+CH3COO]- 307.05247 189.8
[M+Na-2H]- 269.01329 156.6
[M]+ 248.03807 160.6
[M]- 248.03917 160.6
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

patents stripe