CID 57516602

3-methylpyrrolidine-3-carbonitrile

Structural Information

Molecular Formula

C₆H₁₀N₂

SMILES

CC1(CCNC1)C#N

InChI

InChI=1S/C6H10N2/c1-6(4-7)2-3-8-5-6/h8H,2-3,5H2,1H3

InChIKey

FVPYQTSLDMVWBM-UHFFFAOYSA-N

Compound name

3-methylpyrrolidine-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 90
Patents: 110.0844 Da
Monoisotopic Mass: 0.0
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	123.3
[M+Na]+	133.07362	132.9
[M+NH4]+	128.11822	129.7
[M+K]+	149.04756	124.4
[M-H]-	109.07712	116.7
[M+Na-2H]-	131.05907	127.0
[M]+	110.08385	121.9
[M]-	110.08495	121.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe