CID 202514

Isobutylamine, sulfate (2:1)

Structural Information

Molecular Formula

C₄H₁₀O₄S

SMILES

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

InChI

InChI=1S/C4H10O4S/c1-4(2)3-8-9(5,6)7/h4H,3H2,1-2H3,(H,5,6,7)

InChIKey

JVNPHYVDWYJFES-UHFFFAOYSA-N

Compound name

2-methylpropyl hydrogen sulfate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 243
Patents: 154.02998 Da
Monoisotopic Mass: 0.5
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]+	155.03726	128.2
[M+Na]+	177.01920	136.0
[M-H]-	153.02270	127.6
[M+NH4]+	172.06380	148.9
[M+K]+	192.99314	135.7
[M+H-H2O]+	137.02724	124.0
[M+HCOO]-	199.02818	144.3
[M+CH3COO]-	213.04383	169.8
[M+Na-2H]-	175.00465	131.9
[M]+	154.02943	132.1
[M]-	154.03053	132.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.