CID 292869

2-amino-2-methyl-1-propanol hydrogen sulfate

Structural Information

Molecular Formula

C₄H₁₁NO₄S

SMILES

CC(C)(COS(=O)(=O)O)N

InChI

InChI=1S/C4H11NO4S/c1-4(2,5)3-9-10(6,7)8/h3,5H2,1-2H3,(H,6,7,8)

InChIKey

RGXZRDJYNDJZBY-UHFFFAOYSA-N

Compound name

(2-amino-2-methylpropyl) hydrogen sulfate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 28
Patents: 169.04088 Da
Monoisotopic Mass: -3.4
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]+	170.048156	132.8
[M+Na]+	192.030098	140.2
[M-H]-	168.033604	131.6
[M+NH4]+	187.074703	152.3
[M+K]+	208.004038	139.2
[M+H-H2O]+	152.038140	128.5
[M+HCOO]-	214.039081	148.7
[M+CH3COO]-	228.054731	173.7
[M+Na-2H]-	190.015546	137.9
[M]+	169.04033142	134.8
[M]-	169.04142858	134.8

Literature stripe

literature stripe

Patent stripe

patents stripe