CID 13854069

102090-59-5

Structural Information

Molecular Formula

C₁₁H₁₇NO₃S

SMILES

CC(C)(C)OC(=O)NCC(C1=CC=CS1)O

InChI

InChI=1S/C11H17NO3S/c1-11(2,3)15-10(14)12-7-8(13)9-5-4-6-16-9/h4-6,8,13H,7H2,1-3H3,(H,12,14)

InChIKey

CQGRIRKQEHAFIP-UHFFFAOYSA-N

Compound name

tert-butyl N-(2-hydroxy-2-thiophen-2-ylethyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 243.09291 Da
Monoisotopic Mass: 1.5
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]+	244.10019	157.9
[M+Na]+	266.08213	163.2
[M-H]-	242.08563	160.0
[M+NH4]+	261.12673	176.6
[M+K]+	282.05607	161.5
[M+H-H2O]+	226.09017	152.2
[M+HCOO]-	288.09111	173.9
[M+CH3COO]-	302.10676	188.6
[M+Na-2H]-	264.06758	158.2
[M]+	243.09236	160.4
[M]-	243.09346	160.4

Literature stripe

literature stripe

Patent stripe

patents stripe