CID 3004385

Nsc649427

Structural Information

Molecular Formula
C10H17NS
SMILES
CC1(CCCNC1=S)CCC=C
InChI
InChI=1S/C10H17NS/c1-3-4-6-10(2)7-5-8-11-9(10)12/h3H,1,4-8H2,2H3,(H,11,12)
InChIKey
OAAZABZLWGVRIO-UHFFFAOYSA-N
Compound name
3-but-3-enyl-3-methylpiperidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.10817 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.11545 140.3
[M+Na]+ 206.09739 146.3
[M-H]- 182.10089 140.5
[M+NH4]+ 201.14199 160.8
[M+K]+ 222.07133 142.2
[M+H-H2O]+ 166.10543 135.2
[M+HCOO]- 228.10637 152.5
[M+CH3COO]- 242.12202 178.2
[M+Na-2H]- 204.08284 141.9
[M]+ 183.10762 136.5
[M]- 183.10872 136.5
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.