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

14
Patents

243.09291 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.100186 157.9
[M+Na]+ 266.082128 163.2
[M-H]- 242.085634 160.0
[M+NH4]+ 261.126733 176.6
[M+K]+ 282.056068 161.5
[M+H-H2O]+ 226.090170 152.2
[M+HCOO]- 288.091111 173.9
[M+CH3COO]- 302.106761 188.6
[M+Na-2H]- 264.067576 158.2
[M]+ 243.09236142 160.4
[M]- 243.09345858 160.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe