CID 57422

2-thenylcarbamic acid 2-hydroxyethyl ester

Structural Information

Molecular Formula
C8H11NO3S
SMILES
C1=CSC(=C1)CNC(=O)OCCO
InChI
InChI=1S/C8H11NO3S/c10-3-4-12-8(11)9-6-7-2-1-5-13-7/h1-2,5,10H,3-4,6H2,(H,9,11)
InChIKey
QWLGXTSJOZOKBP-UHFFFAOYSA-N
Compound name
2-hydroxyethyl N-(thiophen-2-ylmethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.04596 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.05324 143.0
[M+Na]+ 224.03518 149.6
[M-H]- 200.03868 145.3
[M+NH4]+ 219.07978 163.3
[M+K]+ 240.00912 147.5
[M+H-H2O]+ 184.04322 137.1
[M+HCOO]- 246.04416 162.6
[M+CH3COO]- 260.05981 179.1
[M+Na-2H]- 222.02063 144.9
[M]+ 201.04541 145.6
[M]- 201.04651 145.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.