CID 13619723

100351-04-0

Structural Information

Molecular Formula

C₆H₁₁N

SMILES

CC1=C(CNC1)C

InChI

InChI=1S/C6H11N/c1-5-3-7-4-6(5)2/h7H,3-4H2,1-2H3

InChIKey

MNCSOJLNXISMOS-UHFFFAOYSA-N

Compound name

3,4-dimethyl-2,5-dihydro-1H-pyrrole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 97.08915 Da
Monoisotopic Mass: -0.1
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]+	98.096426	119.2
[M+Na]+	120.07837	130.5
[M+NH4]+	115.12297	128.4
[M+K]+	136.05231	126.2
[M-H]-	96.081874	120.3
[M+Na-2H]-	118.06382	124.7
[M]+	97.088601	121.0
[M]-	97.089699	121.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe