CID 22916663

165667-51-6

Structural Information

Molecular Formula

C₁₀H₁₆N₂O₃S

SMILES

CC(C)(C)OC(=O)NCC1=NC(=CS1)CO

InChI

InChI=1S/C10H16N2O3S/c1-10(2,3)15-9(14)11-4-8-12-7(5-13)6-16-8/h6,13H,4-5H2,1-3H3,(H,11,14)

InChIKey

HYHQFXXHHIPZIR-UHFFFAOYSA-N

Compound name

tert-butyl N-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 244.08817 Da
Monoisotopic Mass: 0.6
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]+	245.095446	156.4
[M+Na]+	267.077388	163.4
[M-H]-	243.080894	157.7
[M+NH4]+	262.121993	174.2
[M+K]+	283.051328	161.3
[M+H-H2O]+	227.085430	150.3
[M+HCOO]-	289.086371	172.6
[M+CH3COO]-	303.102021	188.6
[M+Na-2H]-	265.062836	157.6
[M]+	244.08762142	160.0
[M]-	244.08871858	160.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe