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]+ 298.25292 177.3
[M+Na]+ 320.23486 181.6
[M-H]- 296.23836 183.3
[M+NH4]+ 315.27946 196.2
[M+K]+ 336.20880 177.0
[M+H-H2O]+ 280.24290 170.5
[M+HCOO]- 342.24384 198.0
[M+CH3COO]- 356.25949 210.1
[M+Na-2H]- 318.22031 175.8
[M]+ 297.24509 176.5
[M]- 297.24619 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.