CID 58685055

3-methanesulfinylbutan-1-amine

Structural Information

Molecular Formula

SMILES

CC(CCN)S(=O)C

InChI

InChI=1S/C5H13NOS/c1-5(3-4-6)8(2)7/h5H,3-4,6H2,1-2H3

InChIKey

ZFDQZKLMDYFXPU-UHFFFAOYSA-N

Compound name

3-methylsulfinylbutan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 135.0718 Da
Monoisotopic Mass: -0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	136.07908	128.6
[M+Na]+	158.06102	136.9
[M+NH4]+	153.10562	136.7
[M+K]+	174.03496	130.9
[M-H]-	134.06452	128.3
[M+Na-2H]-	156.04647	130.9
[M]+	135.07125	129.9
[M]-	135.07235	129.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe