CID 98150

Morpholine, 4-(3,5,5-trimethyl-1-thioxohexyl)-

Structural Information

Molecular Formula
C13H25NOS
SMILES
CC(CC(=S)N1CCOCC1)CC(C)(C)C
InChI
InChI=1S/C13H25NOS/c1-11(10-13(2,3)4)9-12(16)14-5-7-15-8-6-14/h11H,5-10H2,1-4H3
InChIKey
PHTIKHPLGOWBCS-UHFFFAOYSA-N
Compound name
3,5,5-trimethyl-1-morpholin-4-ylhexane-1-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.16568 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.17296 159.6
[M+Na]+ 266.15490 162.8
[M-H]- 242.15840 161.2
[M+NH4]+ 261.19950 175.0
[M+K]+ 282.12884 161.9
[M+H-H2O]+ 226.16294 153.2
[M+HCOO]- 288.16388 168.2
[M+CH3COO]- 302.17953 192.7
[M+Na-2H]- 264.14035 159.0
[M]+ 243.16513 158.8
[M]- 243.16623 158.8
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.