CID 21246089

100367-93-9

Structural Information

Molecular Formula
C6H13NOS
SMILES
CC(=O)SCCCCN
InChI
InChI=1S/C6H13NOS/c1-6(8)9-5-3-2-4-7/h2-5,7H2,1H3
InChIKey
ZTEZJSXHAJRDQH-UHFFFAOYSA-N
Compound name
S-(4-aminobutyl) ethanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
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 131.8
[M+Na]+ 170.06102 138.1
[M-H]- 146.06452 131.6
[M+NH4]+ 165.10562 153.1
[M+K]+ 186.03496 136.6
[M+H-H2O]+ 130.06906 126.5
[M+HCOO]- 192.07000 149.7
[M+CH3COO]- 206.08565 176.3
[M+Na-2H]- 168.04647 133.2
[M]+ 147.07125 133.2
[M]- 147.07235 133.2
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