CID 247692

6961-73-5

Structural Information

Molecular Formula
C8H15NOS
SMILES
CCSC(=O)N1CCCCC1
InChI
InChI=1S/C8H15NOS/c1-2-11-8(10)9-6-4-3-5-7-9/h2-7H2,1H3
InChIKey
KJZPWOULIPRXEA-UHFFFAOYSA-N
Compound name
S-ethyl piperidine-1-carbothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.08743 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.094706 138.1
[M+Na]+ 196.076648 143.2
[M-H]- 172.080154 139.5
[M+NH4]+ 191.121253 157.5
[M+K]+ 212.050588 141.7
[M+H-H2O]+ 156.084690 131.8
[M+HCOO]- 218.085631 151.5
[M+CH3COO]- 232.101281 176.5
[M+Na-2H]- 194.062096 139.3
[M]+ 173.08688142 136.0
[M]- 173.08797858 136.0
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.