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 159.7
[M+Na]+ 266.18792 165.7
[M-H]- 242.19142 166.3
[M+NH4]+ 261.23252 180.9
[M+K]+ 282.16186 162.0
[M+H-H2O]+ 226.19596 153.3
[M+HCOO]- 288.19690 182.6
[M+CH3COO]- 302.21255 198.8
[M+Na-2H]- 264.17337 161.6
[M]+ 243.19815 158.9
[M]- 243.19925 158.9
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.