CID 3063451

1-propanethiol, 2-(butylamino)-

Structural Information

Molecular Formula
C7H17NS
SMILES
CCCCNC(C)CS
InChI
InChI=1S/C7H17NS/c1-3-4-5-8-7(2)6-9/h7-9H,3-6H2,1-2H3
InChIKey
NSTVZZCTIFPRKB-UHFFFAOYSA-N
Compound name
2-(butylamino)propane-1-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

147.10817 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.115446 133.4
[M+Na]+ 170.097388 139.0
[M-H]- 146.100894 133.6
[M+NH4]+ 165.141993 155.1
[M+K]+ 186.071328 137.9
[M+H-H2O]+ 130.105430 128.0
[M+HCOO]- 192.106371 151.1
[M+CH3COO]- 206.122021 179.8
[M+Na-2H]- 168.082836 135.3
[M]+ 147.10762142 135.5
[M]- 147.10871858 135.5
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

No patent data available for this compound.