CID 56649221

Tert-butyl n-[(2-amino-1,3-thiazol-4-yl)methyl]carbamate

Structural Information

Molecular Formula
C9H15N3O2S
SMILES
CC(C)(C)OC(=O)NCC1=CSC(=N1)N
InChI
InChI=1S/C9H15N3O2S/c1-9(2,3)14-8(13)11-4-6-5-15-7(10)12-6/h5H,4H2,1-3H3,(H2,10,12)(H,11,13)
InChIKey
CCJFGPYIZZOZSC-UHFFFAOYSA-N
Compound name
tert-butyl N-[(2-amino-1,3-thiazol-4-yl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.0885 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.09578 152.2
[M+Na]+ 252.07772 159.3
[M-H]- 228.08122 154.5
[M+NH4]+ 247.12232 170.7
[M+K]+ 268.05166 157.3
[M+H-H2O]+ 212.08576 145.7
[M+HCOO]- 274.08670 170.3
[M+CH3COO]- 288.10235 190.5
[M+Na-2H]- 250.06317 153.7
[M]+ 229.08795 154.1
[M]- 229.08905 154.1
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

No patent data available for this compound.