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 153.0
[M+Na]+ 246.12869 159.6
[M-H]- 222.13219 154.9
[M+NH4]+ 241.17329 171.0
[M+K]+ 262.10263 156.1
[M+H-H2O]+ 206.13673 146.3
[M+HCOO]- 268.13767 168.3
[M+CH3COO]- 282.15332 189.7
[M+Na-2H]- 244.11414 156.3
[M]+ 223.13892 156.5
[M]- 223.14002 156.5
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.