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

31
Patents

248.03862 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.045896 155.2
[M+Na]+ 271.027838 163.9
[M-H]- 247.031344 158.2
[M+NH4]+ 266.072443 174.5
[M+K]+ 287.001778 160.6
[M+H-H2O]+ 231.035880 149.9
[M+HCOO]- 293.036821 168.4
[M+CH3COO]- 307.052471 189.8
[M+Na-2H]- 269.013286 156.6
[M]+ 248.03807142 160.6
[M]- 248.03916858 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