CID 3050877

67159-63-1

Structural Information

Molecular Formula
C12H16N2
SMILES
CCC1C(CC(=N1)N)C2=CC=CC=C2
InChI
InChI=1S/C12H16N2/c1-2-11-10(8-12(13)14-11)9-6-4-3-5-7-9/h3-7,10-11H,2,8H2,1H3,(H2,13,14)
InChIKey
BIUKJHILMLGGTF-UHFFFAOYSA-N
Compound name
2-ethyl-3-phenyl-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

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.13863 142.0
[M+Na]+ 211.12057 149.5
[M-H]- 187.12407 147.1
[M+NH4]+ 206.16517 161.9
[M+K]+ 227.09451 145.9
[M+H-H2O]+ 171.12861 134.7
[M+HCOO]- 233.12955 165.6
[M+CH3COO]- 247.14520 185.3
[M+Na-2H]- 209.10602 145.7
[M]+ 188.13080 139.4
[M]- 188.13190 139.4
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.