CID 3039633

50902-00-6

Structural Information

Molecular Formula
C12H16N2
SMILES
CC1C(CC(=N1)N)C2=CC=C(C=C2)C
InChI
InChI=1S/C12H16N2/c1-8-3-5-10(6-4-8)11-7-12(13)14-9(11)2/h3-6,9,11H,7H2,1-2H3,(H2,13,14)
InChIKey
RARIBSCEPHEXNV-UHFFFAOYSA-N
Compound name
2-methyl-3-(4-methylphenyl)-3,4-dihydro-2H-pyrrol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.13135 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.13863 142.8
[M+Na]+ 211.12057 155.5
[M+NH4]+ 206.16517 152.0
[M+K]+ 227.09451 150.3
[M-H]- 187.12407 147.2
[M+Na-2H]- 209.10602 150.3
[M]+ 188.13080 145.8
[M]- 188.13190 145.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.