CID 217522

38920-56-8

Structural Information

Molecular Formula
C11H23NS
SMILES
C1CCC(C1)CCCCNCCS
InChI
InChI=1S/C11H23NS/c13-10-9-12-8-4-3-7-11-5-1-2-6-11/h11-13H,1-10H2
InChIKey
SAQQEUDNVAGIHN-UHFFFAOYSA-N
Compound name
2-(4-cyclopentylbutylamino)ethanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.15512 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.16240 149.0
[M+Na]+ 224.14434 156.8
[M+NH4]+ 219.18894 158.2
[M+K]+ 240.11828 149.2
[M-H]- 200.14784 151.4
[M+Na-2H]- 222.12979 152.3
[M]+ 201.15457 151.0
[M]- 201.15567 151.0
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.