CID 104053769

1692418-05-5

Structural Information

Molecular Formula
C11H17N3O3S
SMILES
CC(C)(C)OC(=O)N1CC(C1)(C2=CN=C(S2)N)O
InChI
InChI=1S/C11H17N3O3S/c1-10(2,3)17-9(15)14-5-11(16,6-14)7-4-13-8(12)18-7/h4,16H,5-6H2,1-3H3,(H2,12,13)
InChIKey
ZPEBMWJCGLNWMN-UHFFFAOYSA-N
Compound name
tert-butyl 3-(2-amino-1,3-thiazol-5-yl)-3-hydroxyazetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.09906 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.10634 162.2
[M+Na]+ 294.08828 167.0
[M-H]- 270.09178 164.4
[M+NH4]+ 289.13288 172.3
[M+K]+ 310.06222 168.1
[M+H-H2O]+ 254.09632 150.5
[M+HCOO]- 316.09726 174.0
[M+CH3COO]- 330.11291 195.8
[M+Na-2H]- 292.07373 162.0
[M]+ 271.09851 171.8
[M]- 271.09961 171.8
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.