CID 43394812

2-[(thian-4-yl)amino]ethan-1-ol hydrochloride

Structural Information

Molecular Formula
C7H15NOS
SMILES
C1CSCCC1NCCO
InChI
InChI=1S/C7H15NOS/c9-4-3-8-7-1-5-10-6-2-7/h7-9H,1-6H2
InChIKey
XSSBCZGTVRBHRV-UHFFFAOYSA-N
Compound name
2-(thian-4-ylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

161.08743 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.094706 133.4
[M+Na]+ 184.076648 137.3
[M-H]- 160.080154 134.6
[M+NH4]+ 179.121253 153.3
[M+K]+ 200.050588 135.0
[M+H-H2O]+ 144.084690 127.7
[M+HCOO]- 206.085631 148.6
[M+CH3COO]- 220.101281 174.4
[M+Na-2H]- 182.062096 136.3
[M]+ 161.08688142 129.3
[M]- 161.08797858 129.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe