CID 20715135

Methyl[1-(methylsulfanyl)butan-2-yl]amine

Structural Information

Molecular Formula
C6H15NS
SMILES
CCC(CSC)NC
InChI
InChI=1S/C6H15NS/c1-4-6(7-2)5-8-3/h6-7H,4-5H2,1-3H3
InChIKey
LDPYPWJIRZXMOE-UHFFFAOYSA-N
Compound name
N-methyl-1-methylsulfanylbutan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

133.09251 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.09979 128.9
[M+Na]+ 156.08173 135.0
[M-H]- 132.08523 129.3
[M+NH4]+ 151.12633 151.2
[M+K]+ 172.05567 134.1
[M+H-H2O]+ 116.08977 123.8
[M+HCOO]- 178.09071 147.0
[M+CH3COO]- 192.10636 176.7
[M+Na-2H]- 154.06718 131.4
[M]+ 133.09196 130.7
[M]- 133.09306 130.7
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

patents stripe