CID 43207692

184888-17-3

Structural Information

Molecular Formula

C₈H₁₄N₂O

SMILES

C1COCC1CNCCC#N

InChI

InChI=1S/C8H14N2O/c9-3-1-4-10-6-8-2-5-11-7-8/h8,10H,1-2,4-7H2

InChIKey

XOIIMBMFUNMUTA-UHFFFAOYSA-N

Compound name

3-(oxolan-3-ylmethylamino)propanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 154.11061 Da
Monoisotopic Mass: -0.3
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]+	155.117886	131.3
[M+Na]+	177.099828	138.6
[M-H]-	153.103334	134.1
[M+NH4]+	172.144433	150.1
[M+K]+	193.073768	137.4
[M+H-H2O]+	137.107870	118.6
[M+HCOO]-	199.108811	150.7
[M+CH3COO]-	213.124461	189.9
[M+Na-2H]-	175.085276	137.0
[M]+	154.11006142	125.1
[M]-	154.11115858	125.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe