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]+ 202.053236 143.0
[M+Na]+ 224.035178 149.6
[M-H]- 200.038684 145.3
[M+NH4]+ 219.079783 163.3
[M+K]+ 240.009118 147.5
[M+H-H2O]+ 184.043220 137.1
[M+HCOO]- 246.044161 162.6
[M+CH3COO]- 260.059811 179.1
[M+Na-2H]- 222.020626 144.9
[M]+ 201.04541142 145.6
[M]- 201.04650858 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.