CID 54564119

232612-30-5

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

13
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 160.5
[M+Na]+ 262.06207 169.7
[M-H]- 238.06557 163.1
[M+NH4]+ 257.10667 177.2
[M+K]+ 278.03601 168.2
[M+H-H2O]+ 222.07011 147.3
[M+HCOO]- 284.07105 174.5
[M+CH3COO]- 298.08670 201.6
[M+Na-2H]- 260.04752 161.5
[M]+ 239.07230 158.9
[M]- 239.07340 158.9
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