CID 533935

4-(methylthio)-1-butylamine

Structural Information

Molecular Formula
C5H13NS
SMILES
CSCCCCN
InChI
InChI=1S/C5H13NS/c1-7-5-3-2-4-6/h2-6H2,1H3
InChIKey
DFOFJJHACXCMCO-UHFFFAOYSA-N
Compound name
4-methylsulfanylbutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

119.07687 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.08415 124.2
[M+Na]+ 142.06609 133.7
[M+NH4]+ 137.11069 133.4
[M+K]+ 158.04003 125.7
[M-H]- 118.06959 125.2
[M+Na-2H]- 140.05154 127.9
[M]+ 119.07632 126.1
[M]- 119.07742 126.1
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