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 149.1
[M+Na]+ 224.14434 153.1
[M-H]- 200.14784 151.5
[M+NH4]+ 219.18894 170.2
[M+K]+ 240.11828 150.5
[M+H-H2O]+ 184.15238 142.8
[M+HCOO]- 246.15332 166.4
[M+CH3COO]- 260.16897 187.0
[M+Na-2H]- 222.12979 148.9
[M]+ 201.15457 149.1
[M]- 201.15567 149.1
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.