CID 3073295

Benzenemethanamine, n-methyl-alpha-((2,3,3-trimethyl-1-cyclopenten-1-yl)methyl)-, hydrochloride

Structural Information

Molecular Formula
C17H25N
SMILES
CC1=C(CCC1(C)C)CC(C2=CC=CC=C2)NC
InChI
InChI=1S/C17H25N/c1-13-15(10-11-17(13,2)3)12-16(18-4)14-8-6-5-7-9-14/h5-9,16,18H,10-12H2,1-4H3
InChIKey
OZQHQUQZDVVKDB-UHFFFAOYSA-N
Compound name
N-methyl-1-phenyl-2-(2,3,3-trimethylcyclopenten-1-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.1987 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.20598 160.9
[M+Na]+ 266.18792 172.5
[M+NH4]+ 261.23252 171.5
[M+K]+ 282.16186 164.5
[M-H]- 242.19142 165.9
[M+Na-2H]- 264.17337 169.5
[M]+ 243.19815 164.1
[M]- 243.19925 164.1
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.