CID 3001577

Nsc662787

Structural Information

Molecular Formula
C13H21NS
SMILES
CC1(CCCNC1=S)CCC2CCC=C2
InChI
InChI=1S/C13H21NS/c1-13(8-4-10-14-12(13)15)9-7-11-5-2-3-6-11/h2,5,11H,3-4,6-10H2,1H3,(H,14,15)
InChIKey
WPQSANCPQIMIMF-UHFFFAOYSA-N
Compound name
3-(2-cyclopent-2-en-1-ylethyl)-3-methylpiperidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.13947 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.14675 152.9
[M+Na]+ 246.12869 158.1
[M-H]- 222.13219 155.9
[M+NH4]+ 241.17329 173.3
[M+K]+ 262.10263 153.6
[M+H-H2O]+ 206.13673 146.8
[M+HCOO]- 268.13767 165.0
[M+CH3COO]- 282.15332 184.0
[M+Na-2H]- 244.11414 151.9
[M]+ 223.13892 147.9
[M]- 223.14002 147.9
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.