CID 82491830

[1-(2,4-dimethylphenyl)cyclopentyl]methanamine

Structural Information

Molecular Formula
C14H21N
SMILES
CC1=CC(=C(C=C1)C2(CCCC2)CN)C
InChI
InChI=1S/C14H21N/c1-11-5-6-13(12(2)9-11)14(10-15)7-3-4-8-14/h5-6,9H,3-4,7-8,10,15H2,1-2H3
InChIKey
ZYXFNINZSLEFPQ-UHFFFAOYSA-N
Compound name
[1-(2,4-dimethylphenyl)cyclopentyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.1674 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.17468 147.8
[M+Na]+ 226.15662 154.4
[M-H]- 202.16012 154.0
[M+NH4]+ 221.20122 170.4
[M+K]+ 242.13056 150.8
[M+H-H2O]+ 186.16466 141.9
[M+HCOO]- 248.16560 170.6
[M+CH3COO]- 262.18125 188.6
[M+Na-2H]- 224.14207 150.5
[M]+ 203.16685 144.2
[M]- 203.16795 144.2
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.