CID 3073301

N-(3-metilbut 2-en-1-il)-1-fenil-2-(2,3,3-trimetil-ciclopent-2-en-1-il)etilammina cloridrato

Structural Information

Molecular Formula
C21H31N
SMILES
CC1=C(CCC1(C)C)CC(C2=CC=CC=C2)NCC=C(C)C
InChI
InChI=1S/C21H31N/c1-16(2)12-14-22-20(18-9-7-6-8-10-18)15-19-11-13-21(4,5)17(19)3/h6-10,12,20,22H,11,13-15H2,1-5H3
InChIKey
STQQNNQEYBRMRI-UHFFFAOYSA-N
Compound name
3-methyl-N-[1-phenyl-2-(2,3,3-trimethylcyclopenten-1-yl)ethyl]but-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.24564 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.252916 177.3
[M+Na]+ 320.234858 181.6
[M-H]- 296.238364 183.3
[M+NH4]+ 315.279463 196.2
[M+K]+ 336.208798 177.0
[M+H-H2O]+ 280.242900 170.5
[M+HCOO]- 342.243841 198.0
[M+CH3COO]- 356.259491 210.1
[M+Na-2H]- 318.220306 175.8
[M]+ 297.24509142 176.5
[M]- 297.24618858 176.5
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.