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

48
Patents

135.0718 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.079076 127.5
[M+Na]+ 158.061018 134.2
[M-H]- 134.064524 127.5
[M+NH4]+ 153.105623 149.3
[M+K]+ 174.034958 132.9
[M+H-H2O]+ 118.069060 122.4
[M+HCOO]- 180.070001 145.7
[M+CH3COO]- 194.085651 174.1
[M+Na-2H]- 156.046466 129.4
[M]+ 135.07125142 128.6
[M]- 135.07234858 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