CID 4225967

1,3-diaminopropan-2-yl hydrogen sulfate

Structural Information

Molecular Formula

C₃H₁₀N₂O₄S

SMILES

C(C(CN)OS(=O)(=O)O)N

InChI

InChI=1S/C3H10N2O4S/c4-1-3(2-5)9-10(6,7)8/h3H,1-2,4-5H2,(H,6,7,8)

InChIKey

KLCWIGDXSBMZPV-UHFFFAOYSA-N

Compound name

1,3-diaminopropan-2-yl hydrogen sulfate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 170.03613 Da
Monoisotopic Mass: -4.9
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]+	171.04341	132.9
[M+Na]+	193.02535	137.9
[M+NH4]+	188.06995	137.9
[M+K]+	208.99929	135.3
[M-H]-	169.02885	129.7
[M+Na-2H]-	191.01080	133.0
[M]+	170.03558	132.4
[M]-	170.03668	132.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe