CID 2763540

5-(4-hydroxypiperidin-1-yl)thiophene-2-carboxaldehyde

Structural Information

Molecular Formula
C10H13NO2S
SMILES
C1CN(CCC1O)C2=CC=C(S2)C=O
InChI
InChI=1S/C10H13NO2S/c12-7-9-1-2-10(14-9)11-5-3-8(13)4-6-11/h1-2,7-8,13H,3-6H2
InChIKey
QGNLQHONMNFZJP-UHFFFAOYSA-N
Compound name
5-(4-hydroxypiperidin-1-yl)thiophene-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

211.0667 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.073976 145.4
[M+Na]+ 234.055918 152.8
[M-H]- 210.059424 149.5
[M+NH4]+ 229.100523 164.6
[M+K]+ 250.029858 149.4
[M+H-H2O]+ 194.063960 139.3
[M+HCOO]- 256.064901 160.5
[M+CH3COO]- 270.080551 180.3
[M+Na-2H]- 232.041366 145.2
[M]+ 211.06615142 143.7
[M]- 211.06724858 143.7
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

patents stripe