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]+ 268.13658 163.4
[M+Na]+ 290.11852 167.7
[M-H]- 266.12202 166.9
[M+NH4]+ 285.16312 178.5
[M+K]+ 306.09246 164.9
[M+H-H2O]+ 250.12656 156.8
[M+HCOO]- 312.12750 174.9
[M+CH3COO]- 326.14315 190.3
[M+Na-2H]- 288.10397 164.2
[M]+ 267.12875 162.3
[M]- 267.12985 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.