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]+ 217.169916 150.2
[M+Na]+ 239.151858 157.8
[M-H]- 215.155364 155.4
[M+NH4]+ 234.196463 171.0
[M+K]+ 255.125798 154.0
[M+H-H2O]+ 199.159900 143.2
[M+HCOO]- 261.160841 173.2
[M+CH3COO]- 275.176491 190.9
[M+Na-2H]- 237.137306 153.9
[M]+ 216.16209142 148.6
[M]- 216.16318858 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.