CID 10752759

208337-84-2

Structural Information

Molecular Formula
C11H17NO3S
SMILES
CCOC(=O)C1=CC=C(S1)CC[C@H](CN)O
InChI
InChI=1S/C11H17NO3S/c1-2-15-11(14)10-6-5-9(16-10)4-3-8(13)7-12/h5-6,8,13H,2-4,7,12H2,1H3/t8-/m1/s1
InChIKey
MWKRJELNBCSJGI-MRVPVSSYSA-N
Compound name
ethyl 5-[(3R)-4-amino-3-hydroxybutyl]thiophene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.09291 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.100186 156.8
[M+Na]+ 266.082128 162.5
[M-H]- 242.085634 158.4
[M+NH4]+ 261.126733 175.3
[M+K]+ 282.056068 159.9
[M+H-H2O]+ 226.090170 150.7
[M+HCOO]- 288.091111 173.6
[M+CH3COO]- 302.106761 190.2
[M+Na-2H]- 264.067576 154.5
[M]+ 243.09236142 159.3
[M]- 243.09345858 159.3
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.