CID 12981639

187587-70-8

Structural Information

Molecular Formula
C5H13NOS
SMILES
CS(=O)CCCCN
InChI
InChI=1S/C5H13NOS/c1-8(7)5-3-2-4-6/h2-6H2,1H3
InChIKey
FRRCFKLOPJSLMF-UHFFFAOYSA-N
Compound name
4-methylsulfinylbutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

135.0718 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.07908 127.5
[M+Na]+ 158.06102 134.2
[M-H]- 134.06452 127.5
[M+NH4]+ 153.10562 149.3
[M+K]+ 174.03496 132.9
[M+H-H2O]+ 118.06906 122.4
[M+HCOO]- 180.07000 145.7
[M+CH3COO]- 194.08565 174.1
[M+Na-2H]- 156.04647 129.4
[M]+ 135.07125 128.6
[M]- 135.07235 128.6
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