CID 24729772

(4-aminothian-4-yl)methanol hydrochloride

Structural Information

Molecular Formula
C6H13NOS
SMILES
C1CSCCC1(CO)N
InChI
InChI=1S/C6H13NOS/c7-6(5-8)1-3-9-4-2-6/h8H,1-5,7H2
InChIKey
HWKDOXLSRXDTGS-UHFFFAOYSA-N
Compound name
(4-aminothian-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

147.0718 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.07908 128.9
[M+Na]+ 170.06102 137.6
[M+NH4]+ 165.10562 139.6
[M+K]+ 186.03496 128.7
[M-H]- 146.06452 131.0
[M+Na-2H]- 168.04647 134.8
[M]+ 147.07125 131.1
[M]- 147.07235 131.1
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

patents stripe