CID 165800851

En300-843375

Structural Information

Molecular Formula
C11H19N3O2S
SMILES
CC1=C(N=C(S1)CNC(=O)OC(C)(C)C)CN
InChI
InChI=1S/C11H19N3O2S/c1-7-8(5-12)14-9(17-7)6-13-10(15)16-11(2,3)4/h5-6,12H2,1-4H3,(H,13,15)
InChIKey
CRLAJRWNXAJPLD-UHFFFAOYSA-N
Compound name
tert-butyl N-[[4-(aminomethyl)-5-methyl-1,3-thiazol-2-yl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.1198 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.12708 160.9
[M+Na]+ 280.10902 167.9
[M-H]- 256.11252 163.2
[M+NH4]+ 275.15362 178.6
[M+K]+ 296.08296 165.5
[M+H-H2O]+ 240.11706 154.3
[M+HCOO]- 302.11800 178.3
[M+CH3COO]- 316.13365 197.7
[M+Na-2H]- 278.09447 160.8
[M]+ 257.11925 163.9
[M]- 257.12035 163.9
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.