CID 15887953

102800-70-4

Structural Information

Molecular Formula

C₅H₁₀N₂

SMILES

CC1CC(=NC1)N

InChI

InChI=1S/C5H10N2/c1-4-2-5(6)7-3-4/h4H,2-3H2,1H3,(H2,6,7)

InChIKey

IAGJRVCMUDBZSN-UHFFFAOYSA-N

Compound name

3-methyl-3,4-dihydro-2H-pyrrol-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 28
Patents: 98.0844 Da
Monoisotopic Mass: -0.4
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]+	99.091676	118.1
[M+Na]+	121.07362	128.5
[M+NH4]+	116.11822	127.1
[M+K]+	137.04756	124.9
[M-H]-	97.077124	119.8
[M+Na-2H]-	119.05907	123.6
[M]+	98.083851	119.8
[M]-	98.084949	119.8

Literature stripe

literature stripe

Patent stripe

patents stripe