CID 71778000

4-(tert-butylsulfanyl)piperidine hydrochloride

Structural Information

Molecular Formula
C9H19NS
SMILES
CC(C)(C)SC1CCNCC1
InChI
InChI=1S/C9H19NS/c1-9(2,3)11-8-4-6-10-7-5-8/h8,10H,4-7H2,1-3H3
InChIKey
JAJUTEJUDULONR-UHFFFAOYSA-N
Compound name
4-tert-butylsulfanylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

173.12383 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.131106 140.7
[M+Na]+ 196.113048 145.4
[M-H]- 172.116554 140.7
[M+NH4]+ 191.157653 159.6
[M+K]+ 212.086988 142.8
[M+H-H2O]+ 156.121090 135.1
[M+HCOO]- 218.122031 151.4
[M+CH3COO]- 232.137681 176.0
[M+Na-2H]- 194.098496 142.7
[M]+ 173.12328142 136.6
[M]- 173.12437858 136.6
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

patents stripe