CID 83905374

2241138-41-8

Structural Information

Molecular Formula
C7H15NOS
SMILES
C1CSCCC1(CCO)N
InChI
InChI=1S/C7H15NOS/c8-7(1-4-9)2-5-10-6-3-7/h9H,1-6,8H2
InChIKey
KVRIUYFEDINIQN-UHFFFAOYSA-N
Compound name
2-(4-aminothian-4-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.08743 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.09471 133.2
[M+Na]+ 184.07665 141.6
[M+NH4]+ 179.12125 143.7
[M+K]+ 200.05059 132.6
[M-H]- 160.08015 135.3
[M+Na-2H]- 182.06210 138.9
[M]+ 161.08688 135.4
[M]- 161.08798 135.4
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.