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]+ 174.13111 140.7
[M+Na]+ 196.11305 145.4
[M-H]- 172.11655 140.7
[M+NH4]+ 191.15765 159.6
[M+K]+ 212.08699 142.8
[M+H-H2O]+ 156.12109 135.1
[M+HCOO]- 218.12203 151.4
[M+CH3COO]- 232.13768 176.0
[M+Na-2H]- 194.09850 142.7
[M]+ 173.12328 136.6
[M]- 173.12438 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