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 148.8
[M+Na]+ 226.15662 160.2
[M+NH4]+ 221.20122 159.9
[M+K]+ 242.13056 152.5
[M-H]- 202.16012 153.8
[M+Na-2H]- 224.14207 157.2
[M]+ 203.16685 151.9
[M]- 203.16795 151.9
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.