CID 3050880

67159-67-5

Structural Information

Molecular Formula
C14H20N2
SMILES
CCCC1(CC(=NC1C)N)C2=CC=CC=C2
InChI
InChI=1S/C14H20N2/c1-3-9-14(10-13(15)16-11(14)2)12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3,(H2,15,16)
InChIKey
HLYCQLHDHYJHJD-UHFFFAOYSA-N
Compound name
2-methyl-3-phenyl-3-propyl-2,4-dihydropyrrol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.16264 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.16992 150.2
[M+Na]+ 239.15186 157.8
[M-H]- 215.15536 155.4
[M+NH4]+ 234.19646 171.0
[M+K]+ 255.12580 154.0
[M+H-H2O]+ 199.15990 143.2
[M+HCOO]- 261.16084 173.2
[M+CH3COO]- 275.17649 190.9
[M+Na-2H]- 237.13731 153.9
[M]+ 216.16209 148.6
[M]- 216.16319 148.6
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.