CID 3063451

100911-72-6

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]+ 148.11545 133.4
[M+Na]+ 170.09739 139.0
[M-H]- 146.10089 133.6
[M+NH4]+ 165.14199 155.1
[M+K]+ 186.07133 137.9
[M+H-H2O]+ 130.10543 128.0
[M+HCOO]- 192.10637 151.1
[M+CH3COO]- 206.12202 179.8
[M+Na-2H]- 168.08284 135.3
[M]+ 147.10762 135.5
[M]- 147.10872 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.