CID 155821223

2445749-70-0

Structural Information

Molecular Formula
C10H17N3O2S
SMILES
C[C@@H](C1=CSC(=N1)N)NC(=O)OC(C)(C)C
InChI
InChI=1S/C10H17N3O2S/c1-6(7-5-16-8(11)13-7)12-9(14)15-10(2,3)4/h5-6H,1-4H3,(H2,11,13)(H,12,14)/t6-/m0/s1
InChIKey
MIXJDGAORYUTQU-LURJTMIESA-N
Compound name
tert-butyl N-[(1S)-1-(2-amino-1,3-thiazol-4-yl)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.10414 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.11142 156.9
[M+Na]+ 266.09336 163.2
[M+NH4]+ 261.13796 162.9
[M+K]+ 282.06730 160.5
[M-H]- 242.09686 156.6
[M+Na-2H]- 264.07881 159.1
[M]+ 243.10359 157.7
[M]- 243.10469 157.7
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.