CID 24846942

102367-38-4

Structural Information

Molecular Formula
C15H21NO3S
SMILES
CC(=C)C(C1=CC=CS1)(C(=O)OC2CCN(CC2)C)O
InChI
InChI=1S/C15H21NO3S/c1-11(2)15(18,13-5-4-10-20-13)14(17)19-12-6-8-16(3)9-7-12/h4-5,10,12,18H,1,6-9H2,2-3H3
InChIKey
VVSIUOLJSADEPB-UHFFFAOYSA-N
Compound name
(1-methylpiperidin-4-yl) 2-hydroxy-3-methyl-2-thiophen-2-ylbut-3-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.1242 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.131476 170.8
[M+Na]+ 318.113418 174.8
[M-H]- 294.116924 174.0
[M+NH4]+ 313.158023 186.0
[M+K]+ 334.087358 171.8
[M+H-H2O]+ 278.121460 164.4
[M+HCOO]- 340.122401 180.9
[M+CH3COO]- 354.138051 196.7
[M+Na-2H]- 316.098866 167.9
[M]+ 295.12365142 169.4
[M]- 295.12474858 169.4
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.