CID 138481232

2361634-69-5

Structural Information

Molecular Formula

C₆H₁₀N₂

SMILES

C1C(CC1N)CC#N

InChI

InChI=1S/C6H10N2/c7-2-1-5-3-6(8)4-5/h5-6H,1,3-4,8H2

InChIKey

YBTQATWVNNDUDN-UHFFFAOYSA-N

Compound name

2-(3-aminocyclobutyl)acetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 110.0844 Da
Monoisotopic Mass: -0.2
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]+	111.09168	118.5
[M+Na]+	133.07362	125.6
[M-H]-	109.07712	121.7
[M+NH4]+	128.11822	132.9
[M+K]+	149.04756	128.7
[M+H-H2O]+	93.081660	102.6
[M+HCOO]-	155.08260	137.6
[M+CH3COO]-	169.09825	188.0
[M+Na-2H]-	131.05907	123.9
[M]+	110.08385	118.8
[M]-	110.08495	118.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe