CID 82180255

2-[(4-aminobutyl)sulfanyl]ethan-1-ol

Structural Information

Molecular Formula
C6H15NOS
SMILES
C(CCSCCO)CN
InChI
InChI=1S/C6H15NOS/c7-3-1-2-5-9-6-4-8/h8H,1-7H2
InChIKey
MOFPXBFHHAIALP-UHFFFAOYSA-N
Compound name
2-(4-aminobutylsulfanyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

149.08743 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.09471 132.0
[M+Na]+ 172.07665 137.8
[M-H]- 148.08015 130.2
[M+NH4]+ 167.12125 152.6
[M+K]+ 188.05059 135.4
[M+H-H2O]+ 132.08469 126.8
[M+HCOO]- 194.08563 149.3
[M+CH3COO]- 208.10128 174.5
[M+Na-2H]- 170.06210 134.2
[M]+ 149.08688 132.9
[M]- 149.08798 132.9
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