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]+ 230.095776 152.2
[M+Na]+ 252.077718 159.3
[M-H]- 228.081224 154.5
[M+NH4]+ 247.122323 170.7
[M+K]+ 268.051658 157.3
[M+H-H2O]+ 212.085760 145.7
[M+HCOO]- 274.086701 170.3
[M+CH3COO]- 288.102351 190.5
[M+Na-2H]- 250.063166 153.7
[M]+ 229.08795142 154.1
[M]- 229.08904858 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.