CID 200543

2238-80-4

Structural Information

Molecular Formula
C14H21NO2S
SMILES
C=CCC(CCN1CCOCC1)(C2=CC=CS2)O
InChI
InChI=1S/C14H21NO2S/c1-2-5-14(16,13-4-3-12-18-13)6-7-15-8-10-17-11-9-15/h2-4,12,16H,1,5-11H2
InChIKey
AIOHWDCVXHFBLZ-UHFFFAOYSA-N
Compound name
1-morpholin-4-yl-3-thiophen-2-ylhex-5-en-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.1293 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.136576 163.4
[M+Na]+ 290.118518 167.7
[M-H]- 266.122024 166.9
[M+NH4]+ 285.163123 178.5
[M+K]+ 306.092458 164.9
[M+H-H2O]+ 250.126560 156.8
[M+HCOO]- 312.127501 174.9
[M+CH3COO]- 326.143151 190.3
[M+Na-2H]- 288.103966 164.2
[M]+ 267.12875142 162.3
[M]- 267.12984858 162.3
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.