CID 11601064

878376-13-7

Structural Information

Molecular Formula

C₉H₁₅N₃O₂S

SMILES

CC(C)(C)OC(=O)NC1=NC=C(S1)CN

InChI

InChI=1S/C9H15N3O2S/c1-9(2,3)14-8(13)12-7-11-5-6(4-10)15-7/h5H,4,10H2,1-3H3,(H,11,12,13)

InChIKey

BJBOIRJERIUSFM-UHFFFAOYSA-N

Compound name

tert-butyl N-[5-(aminomethyl)-1,3-thiazol-2-yl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 229.0885 Da
Monoisotopic Mass: 0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe