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

50
Patents

119.07687 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.08415 124.8
[M+Na]+ 142.06609 131.3
[M-H]- 118.06959 124.8
[M+NH4]+ 137.11069 147.4
[M+K]+ 158.04003 130.3
[M+H-H2O]+ 102.07413 119.9
[M+HCOO]- 164.07507 142.6
[M+CH3COO]- 178.09072 173.0
[M+Na-2H]- 140.05154 126.8
[M]+ 119.07632 125.2
[M]- 119.07742 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