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

19
Patents

147.0718 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.079076 129.4
[M+Na]+ 170.061018 134.5
[M-H]- 146.064524 130.5
[M+NH4]+ 165.105623 151.6
[M+K]+ 186.034958 132.4
[M+H-H2O]+ 130.069060 124.9
[M+HCOO]- 192.070001 144.2
[M+CH3COO]- 206.085651 170.3
[M+Na-2H]- 168.046466 133.1
[M]+ 147.07125142 124.2
[M]- 147.07234858 124.2
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