CID 78229

3-amino-3-methylbutanenitrile hydrochloride

Structural Information

Molecular Formula

C₅H₁₀N₂

SMILES

CC(C)(CC#N)N

InChI

InChI=1S/C5H10N2/c1-5(2,7)3-4-6/h3,7H2,1-2H3

InChIKey

QRTYOGZNWNFUGB-UHFFFAOYSA-N

Compound name

3-amino-3-methylbutanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 70
Patents: 98.0844 Da
Monoisotopic Mass: -0.4
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]+	99.091676	122.4
[M+Na]+	121.073618	131.2
[M-H]-	97.077124	123.2
[M+NH4]+	116.118223	143.1
[M+K]+	137.047558	131.3
[M+H-H2O]+	81.081660	111.9
[M+HCOO]-	143.082601	141.9
[M+CH3COO]-	157.098251	183.3
[M+Na-2H]-	119.059066	129.2
[M]+	98.08385142	116.1
[M]-	98.08494858	116.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe