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

2
Patents

203.1674 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.174676 147.8
[M+Na]+ 226.156618 154.4
[M-H]- 202.160124 154.0
[M+NH4]+ 221.201223 170.4
[M+K]+ 242.130558 150.8
[M+H-H2O]+ 186.164660 141.9
[M+HCOO]- 248.165601 170.6
[M+CH3COO]- 262.181251 188.6
[M+Na-2H]- 224.142066 150.5
[M]+ 203.16685142 144.2
[M]- 203.16794858 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

patents stripe