CID 54595491

4-methanesulfinylbutan-2-amine hydrochloride

Structural Information

Molecular Formula
C5H13NOS
SMILES
CC(CCS(=O)C)N
InChI
InChI=1S/C5H13NOS/c1-5(6)3-4-8(2)7/h5H,3-4,6H2,1-2H3
InChIKey
MFWOBUUJNZADED-UHFFFAOYSA-N
Compound name
4-methylsulfinylbutan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

135.0718 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.07908 128.1
[M+Na]+ 158.06102 134.5
[M-H]- 134.06452 128.1
[M+NH4]+ 153.10562 149.8
[M+K]+ 174.03496 133.6
[M+H-H2O]+ 118.06906 123.0
[M+HCOO]- 180.07000 145.2
[M+CH3COO]- 194.08565 174.9
[M+Na-2H]- 156.04647 128.8
[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