CID 139026621

2155113-61-2

Structural Information

Molecular Formula
C11H19NS
SMILES
CC(C)C1CN(CCS1)CCC#C
InChI
InChI=1S/C11H19NS/c1-4-5-6-12-7-8-13-11(9-12)10(2)3/h1,10-11H,5-9H2,2-3H3
InChIKey
IASVKVVBYAVYHZ-UHFFFAOYSA-N
Compound name
4-but-3-ynyl-2-propan-2-ylthiomorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.12383 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.13111 144.1
[M+Na]+ 220.11305 151.6
[M-H]- 196.11655 145.0
[M+NH4]+ 215.15765 161.0
[M+K]+ 236.08699 148.3
[M+H-H2O]+ 180.12109 132.2
[M+HCOO]- 242.12203 151.7
[M+CH3COO]- 256.13768 193.0
[M+Na-2H]- 218.09850 143.3
[M]+ 197.12328 137.5
[M]- 197.12438 137.5
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.