CID 22280475

(4-hydroxymethylthiazol-2-yl)carbamic acid tert-butyl ester

Structural Information

Molecular Formula

C₉H₁₄N₂O₃S

SMILES

CC(C)(C)OC(=O)NC1=NC(=CS1)CO

InChI

InChI=1S/C9H14N2O3S/c1-9(2,3)14-8(13)11-7-10-6(4-12)5-15-7/h5,12H,4H2,1-3H3,(H,10,11,13)

InChIKey

OWLBQQTUOQLZST-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 222
Patents: 230.07251 Da
Monoisotopic Mass: 1.0
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]+	231.079786	152.0
[M+Na]+	253.061728	159.4
[M-H]-	229.065234	153.4
[M+NH4]+	248.106333	170.3
[M+K]+	269.035668	157.5
[M+H-H2O]+	213.069770	146.1
[M+HCOO]-	275.070711	168.5
[M+CH3COO]-	289.086361	185.6
[M+Na-2H]-	251.047176	153.7
[M]+	230.07196142	155.2
[M]-	230.07305858	155.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe