CID 54595886

3-(aminomethyl)-3-(methylsulfanyl)pentane

Structural Information

Molecular Formula
C7H17NS
SMILES
CCC(CC)(CN)SC
InChI
InChI=1S/C7H17NS/c1-4-7(5-2,6-8)9-3/h4-6,8H2,1-3H3
InChIKey
QGDWWSHGPZGFCQ-UHFFFAOYSA-N
Compound name
2-ethyl-2-methylsulfanylbutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

147.10817 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.115446 133.9
[M+Na]+ 170.097388 140.2
[M-H]- 146.100894 133.7
[M+NH4]+ 165.141993 155.5
[M+K]+ 186.071328 138.5
[M+H-H2O]+ 130.105430 129.1
[M+HCOO]- 192.106371 150.6
[M+CH3COO]- 206.122021 178.5
[M+Na-2H]- 168.082836 136.6
[M]+ 147.10762142 135.2
[M]- 147.10871858 135.2
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

No patent data available for this compound.