CID 101066

2,5-dimethyl-3-pyrroline

Structural Information

Molecular Formula

C₆H₁₁N

SMILES

CC1C=CC(N1)C

InChI

InChI=1S/C6H11N/c1-5-3-4-6(2)7-5/h3-7H,1-2H3

InChIKey

TXQDHQBSNAJSHQ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 352
Patents: 97.08915 Da
Monoisotopic Mass: 0.8
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	119.0
[M+Na]+	120.07837	127.1
[M-H]-	96.081874	120.1
[M+NH4]+	115.12297	142.4
[M+K]+	136.05231	125.6
[M+H-H2O]+	80.086410	113.8
[M+HCOO]-	142.08735	141.0
[M+CH3COO]-	156.10300	163.9
[M+Na-2H]-	118.06382	124.3
[M]+	97.088601	116.0
[M]-	97.089699	116.0

Literature stripe

literature stripe

Patent stripe

patents stripe