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]+ 148.11545 133.9
[M+Na]+ 170.09739 140.2
[M-H]- 146.10089 133.7
[M+NH4]+ 165.14199 155.5
[M+K]+ 186.07133 138.5
[M+H-H2O]+ 130.10543 129.1
[M+HCOO]- 192.10637 150.6
[M+CH3COO]- 206.12202 178.5
[M+Na-2H]- 168.08284 136.6
[M]+ 147.10762 135.2
[M]- 147.10872 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.