CID 90457

24304-84-5

Structural Information

Molecular Formula
C4H11NOS
SMILES
C(CSCCO)N
InChI
InChI=1S/C4H11NOS/c5-1-3-7-4-2-6/h6H,1-5H2
InChIKey
ZRZOERYTFAWUQQ-UHFFFAOYSA-N
Compound name
2-(2-aminoethylsulfanyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

371
Patents

121.05614 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.06342 123.3
[M+Na]+ 144.04536 130.0
[M-H]- 120.04886 121.9
[M+NH4]+ 139.08996 145.0
[M+K]+ 160.01930 128.1
[M+H-H2O]+ 104.05340 118.5
[M+HCOO]- 166.05434 141.2
[M+CH3COO]- 180.06999 168.4
[M+Na-2H]- 142.03081 126.5
[M]+ 121.05559 123.5
[M]- 121.05669 123.5
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