CID 83671480

1782626-77-0

Structural Information

Molecular Formula

C₁₀H₁₇N₃O₂S

SMILES

CC(C)(C)OC(=O)NCC1=NC=C(S1)CN

InChI

InChI=1S/C10H17N3O2S/c1-10(2,3)15-9(14)13-6-8-12-5-7(4-11)16-8/h5H,4,6,11H2,1-3H3,(H,13,14)

InChIKey

NCZPSSNSLKZYNB-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 243.10414 Da
Monoisotopic Mass: 0.4
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]+	244.111416	156.6
[M+Na]+	266.093358	163.2
[M-H]-	242.096864	158.6
[M+NH4]+	261.137963	174.5
[M+K]+	282.067298	161.0
[M+H-H2O]+	226.101400	149.8
[M+HCOO]-	288.102341	174.3
[M+CH3COO]-	302.117991	193.5
[M+Na-2H]-	264.078806	157.6
[M]+	243.10359142	158.8
[M]-	243.10468858	158.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe