CID 137940055

2167368-78-5

Structural Information

Molecular Formula
C11H18N2O2S
SMILES
CC1=C(SC(=N1)C(C)N)C(=O)OC(C)(C)C
InChI
InChI=1S/C11H18N2O2S/c1-6(12)9-13-7(2)8(16-9)10(14)15-11(3,4)5/h6H,12H2,1-5H3
InChIKey
SLOFEUKRDZOMLC-UHFFFAOYSA-N
Compound name
tert-butyl 2-(1-aminoethyl)-4-methyl-1,3-thiazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.1089 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.116176 156.9
[M+Na]+ 265.098118 164.6
[M-H]- 241.101624 159.4
[M+NH4]+ 260.142723 175.5
[M+K]+ 281.072058 162.8
[M+H-H2O]+ 225.106160 151.0
[M+HCOO]- 287.107101 172.3
[M+CH3COO]- 301.122751 194.2
[M+Na-2H]- 263.083566 155.2
[M]+ 242.10835142 160.2
[M]- 242.10944858 160.2
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.