CID 3077489

134480-45-8

Structural Information

Molecular Formula
C13H21NS
SMILES
CC(C)(C)CCSCCC1=CC=NC=C1
InChI
InChI=1S/C13H21NS/c1-13(2,3)7-11-15-10-6-12-4-8-14-9-5-12/h4-5,8-9H,6-7,10-11H2,1-3H3
InChIKey
HNILDULMLSAZOK-UHFFFAOYSA-N
Compound name
4-[2-(3,3-dimethylbutylsulfanyl)ethyl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.13947 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.14675 154.5
[M+Na]+ 246.12869 166.6
[M+NH4]+ 241.17329 163.4
[M+K]+ 262.10263 156.9
[M-H]- 222.13219 156.6
[M+Na-2H]- 244.11414 160.8
[M]+ 223.13892 157.5
[M]- 223.14002 157.5
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.