CID 3073297

N,n-dimetil-1-fenil-2-(2,3,3-trimetil-ciclopent-1-en-1-il)etilammina cloridrato [spanish]

Structural Information

Molecular Formula
C18H27N
SMILES
CC1=C(CCC1(C)C)CC(C2=CC=CC=C2)N(C)C
InChI
InChI=1S/C18H27N/c1-14-16(11-12-18(14,2)3)13-17(19(4)5)15-9-7-6-8-10-15/h6-10,17H,11-13H2,1-5H3
InChIKey
JCFIJQWQTUBNCD-UHFFFAOYSA-N
Compound name
N,N-dimethyl-1-phenyl-2-(2,3,3-trimethylcyclopenten-1-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.21436 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.22164 164.0
[M+Na]+ 280.20358 169.7
[M-H]- 256.20708 171.9
[M+NH4]+ 275.24818 185.3
[M+K]+ 296.17752 167.2
[M+H-H2O]+ 240.21162 157.4
[M+HCOO]- 302.21256 187.0
[M+CH3COO]- 316.22821 205.3
[M+Na-2H]- 278.18903 164.6
[M]+ 257.21381 164.9
[M]- 257.21491 164.9
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.