CID 54564119

Tert-butyl ((5-cyanothiazol-2-yl)methyl)carbamate

Structural Information

Molecular Formula
C10H13N3O2S
SMILES
CC(C)(C)OC(=O)NCC1=NC=C(S1)C#N
InChI
InChI=1S/C10H13N3O2S/c1-10(2,3)15-9(14)13-6-8-12-5-7(4-11)16-8/h5H,6H2,1-3H3,(H,13,14)
InChIKey
ZSQARDQMIGWDBZ-UHFFFAOYSA-N
Compound name
tert-butyl N-[(5-cyano-1,3-thiazol-2-yl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

239.07285 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.08013 150.8
[M+Na]+ 262.06207 158.7
[M+NH4]+ 257.10667 153.9
[M+K]+ 278.03601 151.8
[M-H]- 238.06557 143.3
[M+Na-2H]- 260.04752 151.8
[M]+ 239.07230 149.1
[M]- 239.07340 149.1
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