CID 1520

2-(butylamino)ethanethiol

Structural Information

Molecular Formula
C6H15NS
SMILES
CCCCNCCS
InChI
InChI=1S/C6H15NS/c1-2-3-4-7-5-6-8/h7-8H,2-6H2,1H3
InChIKey
OUMFAUYLXGTBCX-UHFFFAOYSA-N
Compound name
2-(butylamino)ethanethiol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

496
Patents

133.09251 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.09979 128.1
[M+Na]+ 156.08173 134.5
[M-H]- 132.08523 128.4
[M+NH4]+ 151.12633 150.4
[M+K]+ 172.05567 133.1
[M+H-H2O]+ 116.08977 122.9
[M+HCOO]- 178.09071 147.2
[M+CH3COO]- 192.10636 176.0
[M+Na-2H]- 154.06718 131.8
[M]+ 133.09196 130.5
[M]- 133.09306 130.5
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