CID 22979404

4-(methylsulfanyl)butan-2-amine

Structural Information

Molecular Formula
C5H13NS
SMILES
CC(CCSC)N
InChI
InChI=1S/C5H13NS/c1-5(6)3-4-7-2/h5H,3-4,6H2,1-2H3
InChIKey
FNVNAEIAPMSQRL-UHFFFAOYSA-N
Compound name
4-methylsulfanylbutan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

119.07687 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.084146 124.8
[M+Na]+ 142.066088 131.3
[M-H]- 118.069594 124.8
[M+NH4]+ 137.110693 147.4
[M+K]+ 158.040028 130.3
[M+H-H2O]+ 102.074130 119.9
[M+HCOO]- 164.075071 142.6
[M+CH3COO]- 178.090721 173.0
[M+Na-2H]- 140.051536 126.8
[M]+ 119.07632142 125.2
[M]- 119.07741858 125.2
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

patents stripe